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

Systemtic Name: methyl 5-ethyl-2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O5S3 MolecularWeight: 503.61424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O5S3/c1-3-16-13-18(21(27)30-2)20(32-16)24-22(31)23-15-9-11-17(12-10-15)33(28,29)25-19(26)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,25,26)(H2,23,24,31)