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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-sulfamoylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-sulfamoylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

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