N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O4S/c1-26-17-12-16(13-18(27-2)19(17)28-3)20(25)23-21(29)24(11-7-10-22)14-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,11,14H2,1-3H3,(H,23,25,29)