2-bromanyl-N-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-2-bromobenzamide Traditional Name: N-[[3-(benzylcarbamoyl)phenyl]thiocarbamoyl]-2-bromo-benzamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H18BrN3O2S/c23-19-12-5-4-11-18(19)21(28)26-22(29)25-17-10-6-9-16(13-17)20(27)24-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,24,27)(H2,25,26,28,29)