N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C19H19N3O4S/c1-24-15-10-13(11-16(25-2)17(15)26-3)18(23)22-19(27)21-14-6-4-12(5-7-14)8-9-20/h4-7,10-11H,8H2,1-3H3,(H2,21,22,23,27)