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87555-53-1 | Hydrazinecarbothioamide, 2-[1-(1-isoquinolinyl)ethyl]-N-(phenylmethyl)-
CAS No: 87555-53-1 Catalog No: AG008EWL MDL No:
Product Description
Catalog Number:
AG008EWL
Chemical Name:
Hydrazinecarbothioamide, 2-[1-(1-isoquinolinyl)ethyl]-N-(phenylmethyl)-
CAS Number:
87555-53-1
Molecular Formula:
C19H20N4S
Molecular Weight:
336.4539
IUPAC Name:
1-benzyl-3-(1-isoquinolin-1-ylethylamino)thiourea
InChI:
InChI=1S/C19H20N4S/c1-14(18-17-10-6-5-9-16(17)11-12-20-18)22-23-19(24)21-13-15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H2,21,23,24)
InChI Key:
YRQVKIZGASSOQR-UHFFFAOYSA-N
SMILES:
S=C(NNC(c1nccc2c1cccc2)C)NCc1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.457g/mol
Monoisotopic Mass:
336.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Thiosemicarbazones of 2-acetylpyridine, 2-acetylquinoline, 1-acetylisoquinoline, and related compounds as inhibitors of herpes simplex virus in vitro and in a cutaneous herpes guinea pig model. | Antiviral research 19860701 |
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