5-bromanyl-N-[[4-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-5-bromo-pyridine-3-carboxamide CAS Name: 5-bromo-N-[[4-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[[4-(benzylcarbamoyl)phenyl]thiocarbamoyl]-5-bromo-nicotinamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H17BrN4O2S/c22-17-10-16(12-23-13-17)20(28)26-21(29)25-18-8-6-15(7-9-18)19(27)24-11-14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,24,27)(H2,25,26,28,29)