(E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-(3-pyridylmethylcarbamothioyl)prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-(3-pyridylmethylthiocarbamoyl)acrylamide Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-22-15-7-4-13(5-8-15)6-9-16(21)20-17(23)19-12-14-3-2-10-18-11-14/h2-11H,12H2,1H3,(H2,19,20,21,23)/b9-6+