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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-24-17(23)5-3-2-4-10-19-18(25)21-13-11-20(12-14-21)15-6-8-16(22)9-7-15/h6-9,22H,2-5,10-14H2,1H3,(H,19,25)