N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O2S/c1-17(2)16-27-20-11-6-10-19(14-20)21(26)24-22(28)25(13-7-12-23)15-18-8-4-3-5-9-18/h3-6,8-11,14,17H,7,13,15-16H2,1-2H3,(H,24,26,28)