2-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-bromobenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-2-bromo-benzamide Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H16BrN3OS/c19-16-10-5-4-9-15(16)17(23)21-18(24)22(12-6-11-20)13-14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2,(H,21,23,24)