methyl 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(4-ethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29N3O4S3 MolecularWeight: 507.68906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C23H29N3O4S3/c1-3-16-8-10-17(11-9-16)33(28,29)26-14-12-25(13-15-26)23(31)24-21-20(22(27)30-2)18-6-4-5-7-19(18)32-21/h8-11H,3-7,12-15H2,1-2H3,(H,24,31)