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

Systemtic Name: methyl 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-chlorophenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20ClN3O4S3 MolecularWeight: 510.0492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H20ClN3O4S3/c1-3-16-12-18(20(26)29-2)19(31-16)24-21(30)23-14-8-10-17(11-9-14)32(27,28)25-15-6-4-13(22)5-7-15/h4-12,25H,3H2,1-2H3,(H2,23,24,30)