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

Systemtic Name: ethyl 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-chlorophenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H22ClN3O4S3 MolecularWeight: 572.11858

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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)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O4S3/c1-2-34-25(31)22-16-23(17-6-4-3-5-7-17)36-24(22)29-26(35)28-19-12-14-21(15-13-19)37(32,33)30-20-10-8-18(27)9-11-20/h3-16,30H,2H2,1H3,(H2,28,29,35)