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

Systemtic Name: methyl 2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C23H29N3O2S2/c1-15-8-10-17(11-9-15)26-13-12-25(14-16(26)2)23(29)24-21-20(22(27)28-3)18-6-4-5-7-19(18)30-21/h8-11,16H,4-7,12-14H2,1-3H3,(H,24,29)