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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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