ethyl 2-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H27N3O4S3 MolecularWeight: 517.68388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C24H27N3O4S3/c1-5-31-22(28)19-15-20(16-9-7-6-8-10-16)33-21(19)26-23(32)25-17-11-13-18(14-12-17)34(29,30)27-24(2,3)4/h6-15,27H,5H2,1-4H3,(H2,25,26,32)