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126193-38-2 | Benzamide, N-[[(2-phenyl-1H-indol-3-yl)amino]thioxomethyl]-
CAS No: 126193-38-2 Catalog No: AG000S6X MDL No:
Product Description
Catalog Number:
AG000S6X
Chemical Name:
Benzamide, N-[[(2-phenyl-1H-indol-3-yl)amino]thioxomethyl]-
CAS Number:
126193-38-2
Molecular Formula:
C22H17N3OS
Molecular Weight:
371.4549
IUPAC Name:
N-[(2-phenyl-1H-indol-3-yl)carbamothioyl]benzamide
InChI:
InChI=1S/C22H17N3OS/c26-21(16-11-5-2-6-12-16)25-22(27)24-20-17-13-7-8-14-18(17)23-19(20)15-9-3-1-4-10-15/h1-14,23H,(H2,24,25,26,27)
InChI Key:
BBDPUHFHEZYNPQ-UHFFFAOYSA-N
SMILES:
S=C(Nc1c([nH]c2c1cccc2)c1ccccc1)NC(=O)c1ccccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.109g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
371.458g/mol
Monoisotopic Mass:
371.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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