(E)-3-(2-methoxyphenyl)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]acrylamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S2/c1-32-23-10-6-5-9-20(23)11-16-24(29)28-25(33)27-21-12-14-22(15-13-21)34(30,31)26-18-17-19-7-3-2-4-8-19/h2-16,26H,17-18H2,1H3,(H2,27,28,29,33)/b16-11+