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

Systemtic Name: (E)-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

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