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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O4S3 MolecularWeight: 461.57756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S3/c1-12-16(13-6-4-3-5-7-13)17(19(24)27-2)18(29-12)23-20(28)22-14-8-10-15(11-9-14)30(21,25)26/h3-11H,1-2H3,(H2,21,25,26)(H2,22,23,28)