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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(isopropylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(propan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[4-(isopropylsulfamoyl)phenyl]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-4-28-18-10-5-16(6-11-18)7-14-20(25)23-21(29)22-17-8-12-19(13-9-17)30(26,27)24-15(2)3/h5-15,24H,4H2,1-3H3,(H2,22,23,25,29)/b14-7+