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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S3/c1-13-17(15-6-4-3-5-7-15)18(20(25)28-2)19(30-13)24-21(29)23-12-14-8-10-16(11-9-14)31(22,26)27/h3-11H,12H2,1-2H3,(H2,22,26,27)(H2,23,24,29)