(E)-3-(4-nitrophenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-[(3-propionamidophenyl)thiocarbamoyl]acrylamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-2-17(24)20-14-4-3-5-15(12-14)21-19(28)22-18(25)11-8-13-6-9-16(10-7-13)23(26)27/h3-12H,2H2,1H3,(H,20,24)(H2,21,22,25,28)/b11-8+