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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-(isonicotinamidothiocarbamoyl)-3-p-phenetyl-acrylamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C18H18N4O3S/c1-2-25-15-6-3-13(4-7-15)5-8-16(23)20-18(26)22-21-17(24)14-9-11-19-12-10-14/h3-12H,2H2,1H3,(H,21,24)(H2,20,22,23,26)/b8-5+