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

Systemtic Name: methyl 6-[[4-(2-methoxyphenyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(2-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H29N3O3S/c1-24-17-9-6-5-8-16(17)21-12-14-22(15-13-21)19(26)20-11-7-3-4-10-18(23)25-2/h5-6,8-9H,3-4,7,10-15H2,1-2H3,(H,20,26)