3,4-dimethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 3,4-dimethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3,4-dimethoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3,4-dimethoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3,4-dimethoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)OC

InChI

InChI=1S/C16H17N3O3S/c1-21-13-6-5-12(8-14(13)22-2)15(20)19-16(23)18-10-11-4-3-7-17-9-11/h3-9H,10H2,1-2H3,(H2,18,19,20,23)