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

Systemtic Name: 2-[1-[4-(4-carbamothioylphenyl)-3-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[1-[4-(4-carbamothioylphenyl)-3-methyl-4-oxo-butanoyl]-4-piperidyl]oxy]acetic acid CAS Name: 2-[[1-[4-(4-carbamothioylphenyl)-3-methyl-1,4-dioxobutyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[1-[4-(4-carbamothioylphenyl)-3-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-[4-keto-3-methyl-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl]oxy]acetic acid Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCC(CC1)OCC(=O)O)C(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CC(CC(=O)N1CCC(CC1)OCC(=O)O)C(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C19H24N2O5S/c1-12(18(25)13-2-4-14(5-3-13)19(20)27)10-16(22)21-8-6-15(7-9-21)26-11-17(23)24/h2-5,12,15H,6-11H2,1H3,(H2,20,27)(H,23,24)