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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-isopropoxy-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O2S/c1-16(2)26-19-11-6-10-18(14-19)20(25)23-21(27)24(13-7-12-22)15-17-8-4-3-5-9-17/h3-6,8-11,14,16H,7,13,15H2,1-2H3,(H,23,25,27)