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

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[(2-pyrrolidinophenyl)thiocarbamoyl]acrylamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c25-19(11-10-15-6-5-7-16(14-15)24(26)27)22-20(28)21-17-8-1-2-9-18(17)23-12-3-4-13-23/h1-2,5-11,14H,3-4,12-13H2,(H2,21,22,25,28)/b11-10+