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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H19N3O4S3/c1-27-19(24)16-11-17(14-5-3-2-4-6-14)29-18(16)23-20(28)22-12-13-7-9-15(10-8-13)30(21,25)26/h2-11H,12H2,1H3,(H2,21,25,26)(H2,22,23,28)