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

Systemtic Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-26-16-10-15(11-17(27-2)18(16)28-3)19(25)23-20(29)24(9-5-7-21)13-14-6-4-8-22-12-14/h4,6,8,10-12H,5,9,13H2,1-3H3,(H,23,25,29)