methyl 4,5-dimethyl-2-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O4S3/c1-14-15(2)31-20(19(14)21(26)29-3)25-22(30)24-17-9-11-18(12-10-17)32(27,28)23-13-16-7-5-4-6-8-16/h4-12,23H,13H2,1-3H3,(H2,24,25,30)