(E)-3-(3-nitrophenyl)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c27-20(11-10-16-6-4-9-19(14-16)26(29)30)24-22(31)23-18-8-5-7-17(15-18)21(28)25-12-2-1-3-13-25/h4-11,14-15H,1-3,12-13H2,(H2,23,24,27,31)/b11-10+