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

Systemtic Name: methyl 2-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H20ClN3O4S3 MolecularWeight: 558.092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C25H20ClN3O4S3/c1-33-24(30)21-15-22(16-5-3-2-4-6-16)35-23(21)28-25(34)27-18-11-13-20(14-12-18)36(31,32)29-19-9-7-17(26)8-10-19/h2-15,29H,1H3,(H2,27,28,34)