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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c26-19(11-6-15-4-3-5-18(14-15)25(28)29)23-21(30)22-17-9-7-16(8-10-17)20(27)24-12-1-2-13-24/h3-11,14H,1-2,12-13H2,(H2,22,23,26,30)/b11-6+