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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c26-19(8-7-15-3-1-6-18(13-15)25(28)29)23-21(31)22-17-5-2-4-16(14-17)20(27)24-9-11-30-12-10-24/h1-8,13-14H,9-12H2,(H2,22,23,26,31)/b8-7+