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

Systemtic Name: methyl 5-ethyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-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:

CCC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC

InChI

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