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

Systemtic Name: (E)-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C21H20N4O5S MolecularWeight: 440.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c26-19(10-7-15-5-8-16(9-6-15)25(28)29)23-21(31)22-18-4-2-1-3-17(18)20(27)24-11-13-30-14-12-24/h1-10H,11-14H2,(H2,22,23,26,31)/b10-7+