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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H19N3O4S3 MolecularWeight: 413.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C16H19N3O4S3/c1-9-10(2)25-14(13(9)15(20)23-3)19-16(24)18-8-11-4-6-12(7-5-11)26(17,21)22/h4-7H,8H2,1-3H3,(H2,17,21,22)(H2,18,19,24)