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

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29N3O5S3 MolecularWeight: 523.68846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H29N3O5S3/c1-15-4-9-18-19(14-15)33-21(20(18)22(27)31-3)24-23(32)25-10-12-26(13-11-25)34(28,29)17-7-5-16(30-2)6-8-17/h5-8,15H,4,9-14H2,1-3H3,(H,24,32)