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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-(isonicotinamidothiocarbamoyl)acrylamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-25-14-5-3-12(11-15(14)26-2)4-6-16(23)20-18(27)22-21-17(24)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,21,24)(H2,20,22,23,27)/b6-4+