methyl 6-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]hexanoate Traditional Name: 6-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=CC=CC=N2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=CC=CC=N2

InChI

InChI=1S/C17H26N4O2S/c1-23-16(22)8-3-2-5-10-19-17(24)21-13-11-20(12-14-21)15-7-4-6-9-18-15/h4,6-7,9H,2-3,5,8,10-14H2,1H3,(H,19,24)