methyl 5-ethyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H25N3O4S3 MolecularWeight: 503.6573

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O4S3/c1-3-18-15-20(22(27)30-2)21(32-18)26-23(31)25-17-9-11-19(12-10-17)33(28,29)24-14-13-16-7-5-4-6-8-16/h4-12,15,24H,3,13-14H2,1-2H3,(H2,25,26,31)