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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

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