2-[1-[4-(4-carbamothioylphenyl)-3-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxybutanoic acid

Systemtic Name: 2-[1-[4-(4-carbamothioylphenyl)-3-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxybutanoic acid Openeye Name: 2-[[1-[4-(4-carbamothioylphenyl)-3-methyl-4-oxo-butanoyl]-4-piperidyl]oxy]butanoic acid CAS Name: 2-[[1-[4-(4-carbamothioylphenyl)-3-methyl-1,4-dioxobutyl]-4-piperidinyl]oxy]butanoic acid IUPAC Name: 2-[1-[4-(4-carbamothioylphenyl)-3-methyl-4-oxobutanoyl]piperidin-4-yl]oxybutanoic acid Traditional Name: 2-[[1-[4-keto-3-methyl-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl]oxy]butyric acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1CCN(CC1)C(=O)CC(C)C(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CCC(C(=O)O)OC1CCN(CC1)C(=O)CC(C)C(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C21H28N2O5S/c1-3-17(21(26)27)28-16-8-10-23(11-9-16)18(24)12-13(2)19(25)14-4-6-15(7-5-14)20(22)29/h4-7,13,16-17H,3,8-12H2,1-2H3,(H2,22,29)(H,26,27)