4-chloranyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-chlorobenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-chloro-benzamide Formula: C18H16ClN3OS MolecularWeight: 357.85714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3OS/c19-16-9-7-15(8-10-16)17(23)21-18(24)22(12-4-11-20)13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2,(H,21,23,24)