(E)-3-(4-nitrophenyl)-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-[[2-(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=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c27-20(13-10-16-8-11-17(12-9-16)26(29)30)24-22(31)23-19-7-3-2-6-18(19)21(28)25-14-4-1-5-15-25/h2-3,6-13H,1,4-5,14-15H2,(H2,23,24,27,31)/b13-10+