methyl 3-chloranyl-6-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C24H18ClN3O5S3 MolecularWeight: 560.06482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H18ClN3O5S3/c1-33-23(30)21-20(25)18-12-9-16(13-19(18)35-21)27-24(34)26-15-7-10-17(11-8-15)36(31,32)28-22(29)14-5-3-2-4-6-14/h2-13H,1H3,(H,28,29)(H2,26,27,34)