methyl 3-chloranyl-6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24ClN3O6S3 MolecularWeight: 570.10116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)OC

InChI

InChI=1S/C23H24ClN3O6S3/c1-31-17-7-5-15(13-18(17)32-2)36(29,30)27-10-8-26(9-11-27)23(34)25-14-4-6-16-19(12-14)35-21(20(16)24)22(28)33-3/h4-7,12-13H,8-11H2,1-3H3,(H,25,34)