(E)-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[4-(sec-butylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoyl]acrylamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S2/c1-3-14(2)23-31(28,29)18-10-8-16(9-11-18)21-20(30)22-19(25)12-7-15-5-4-6-17(13-15)24(26)27/h4-14,23H,3H2,1-2H3,(H2,21,22,25,30)/b12-7+