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

Systemtic Name: methyl 2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(ethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(ethylsulfamoyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4S3/c1-3-22-31(26,27)16-11-9-15(10-12-16)23-21(29)24-19-17(20(25)28-2)13-18(30-19)14-7-5-4-6-8-14/h4-13,22H,3H2,1-2H3,(H2,23,24,29)