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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[4-(phenylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H23N3O4S3 MolecularWeight: 489.63072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O4S3/c1-4-18-14(2)31-20(19(18)21(26)29-3)24-22(30)23-15-10-12-17(13-11-15)32(27,28)25-16-8-6-5-7-9-16/h5-13,25H,4H2,1-3H3,(H2,23,24,30)