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

Systemtic Name: methyl 4-[[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(2-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2-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=CC=C2O

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-22-15(21)7-4-8-17-16(23)19-11-9-18(10-12-19)13-5-2-3-6-14(13)20/h2-3,5-6,20H,4,7-12H2,1H3,(H,17,23)