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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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