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

Systemtic Name: methyl 3-chloranyl-6-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H20ClN3O5S3 MolecularWeight: 562.0807

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C24H20ClN3O5S3/c1-32-17-8-3-15(4-9-17)28-36(30,31)18-10-5-14(6-11-18)26-24(34)27-16-7-12-19-20(13-16)35-22(21(19)25)23(29)33-2/h3-13,28H,1-2H3,(H2,26,27,34)