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

Systemtic Name: methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(4-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-22-15(21)3-2-8-17-16(23)19-11-9-18(10-12-19)13-4-6-14(20)7-5-13/h4-7,20H,2-3,8-12H2,1H3,(H,17,23)