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

Systemtic Name: methyl 6-[[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(2-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=CC=CC=C2O

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=CC=CC=C2O

InChI

InChI=1S/C18H27N3O3S/c1-24-17(23)9-3-2-6-10-19-18(25)21-13-11-20(12-14-21)15-7-4-5-8-16(15)22/h4-5,7-8,22H,2-3,6,9-14H2,1H3,(H,19,25)