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

Systemtic Name: (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-(cyclohexylsulfamoyl)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(cyclohexylsulfamoyl)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S2/c27-21(14-9-16-5-4-8-19(15-16)26(28)29)24-22(32)23-17-10-12-20(13-11-17)33(30,31)25-18-6-2-1-3-7-18/h4-5,8-15,18,25H,1-3,6-7H2,(H2,23,24,27,32)/b14-9+