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

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c26-19(12-9-15-7-10-16(11-8-15)25(28)29)23-21(30)22-18-6-2-1-5-17(18)20(27)24-13-3-4-14-24/h1-2,5-12H,3-4,13-14H2,(H2,22,23,26,30)/b12-9+