(E)-3-(2-methoxyphenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-(isonicotinamidothiocarbamoyl)-3-(2-methoxyphenyl)acrylamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-24-14-5-3-2-4-12(14)6-7-15(22)19-17(25)21-20-16(23)13-8-10-18-11-9-13/h2-11H,1H3,(H,20,23)(H2,19,21,22,25)/b7-6+