methyl 6-[[4-(2-methylphenyl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(2-methylphenyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(o-tolyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-methylphenyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(o-tolyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H29N3O2S/c1-16-8-5-6-9-17(16)21-12-14-22(15-13-21)19(25)20-11-7-3-4-10-18(23)24-2/h5-6,8-9H,3-4,7,10-15H2,1-2H3,(H,20,25)