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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S2/c1-2-33-23-13-8-21(9-14-23)10-17-25(30)29-26(34)28-22-11-15-24(16-12-22)35(31,32)27-19-18-20-6-4-3-5-7-20/h3-17,27H,2,18-19H2,1H3,(H2,28,29,30,34)/b17-10+