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

Systemtic Name: (E)-3-phenyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-3-phenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-(isonicotinamidothiocarbamoyl)-3-phenyl-acrylamide Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c21-14(7-6-12-4-2-1-3-5-12)18-16(23)20-19-15(22)13-8-10-17-11-9-13/h1-11H,(H,19,22)(H2,18,20,21,23)/b7-6+