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

Systemtic Name: (E)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(4-morpholinosulfonylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S2/c25-19(9-4-15-2-1-3-17(14-15)24(26)27)22-20(31)21-16-5-7-18(8-6-16)32(28,29)23-10-12-30-13-11-23/h1-9,14H,10-13H2,(H2,21,22,25,31)/b9-4+