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

Systemtic Name: methyl 3-chloranyl-6-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(4-ethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24ClN3O4S3 MolecularWeight: 538.10236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C23H24ClN3O4S3/c1-3-15-4-7-17(8-5-15)34(29,30)27-12-10-26(11-13-27)23(32)25-16-6-9-18-19(14-16)33-21(20(18)24)22(28)31-2/h4-9,14H,3,10-13H2,1-2H3,(H,25,32)