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1011301-27-1 | Benzamide, N-[[(4-aminophenyl)amino]thioxomethyl]-4-(1,1-dimethylethyl)-
CAS No: 1011301-27-1 Catalog No: AG0003TD MDL No:
Product Description
Catalog Number:
AG0003TD
Chemical Name:
Benzamide, N-[[(4-aminophenyl)amino]thioxomethyl]-4-(1,1-dimethylethyl)-
CAS Number:
1011301-27-1
Molecular Formula:
C18H21N3OS
Molecular Weight:
327.4438
IUPAC Name:
N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide
InChI:
InChI=1S/C18H21N3OS/c1-18(2,3)13-6-4-12(5-7-13)16(22)21-17(23)20-15-10-8-14(19)9-11-15/h4-11H,19H2,1-3H3,(H2,20,21,22,23)
InChI Key:
NLAXTZPUTNGRDU-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.141g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.446g/mol
Monoisotopic Mass:
327.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| SAR analysis of a series of acylthiourea derivatives possessing broad-spectrum antiviral activity. | Bioorganic & medicinal chemistry letters 20120701 |
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