3-[acetyloxy-[1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxy-methyl]piperidine-1-carboxylate

Systemtic Name: 3-[acetyloxy-[1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxy-methyl]piperidine-1-carboxylate Openeye Name: 3-[acetoxy-[[1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl]oxy]methyl]piperidine-1-carboxylate CAS Name: 3-[acetyloxy-[[1-[4-(4-carbamothioylphenyl)-2-methyl-1,4-dioxobutyl]-4-piperidinyl]oxy]methyl]-1-piperidinecarboxylate IUPAC Name: 3-[acetyloxy-[1-[4-(4-carbamothioylphenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 3-[acetoxy-[[1-[4-keto-2-methyl-4-(4-thiocarbamoylphenyl)butanoyl]-4-piperidyl]oxy]methyl]piperidine-1-carboxylate Formula: C26H34N3O7S- MolecularWeight: 532.62906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C(=S)N)C(=O)N2CCC(CC2)OC(C3CCCN(C3)C(=O)[O-])OC(=O)C

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C(=S)N)C(=O)N2CCC(CC2)OC(C3CCCN(C3)C(=O)[O-])OC(=O)C

InChI

InChI=1S/C26H35N3O7S/c1-16(14-22(31)18-5-7-19(8-6-18)23(27)37)24(32)28-12-9-21(10-13-28)36-25(35-17(2)30)20-4-3-11-29(15-20)26(33)34/h5-8,16,20-21,25H,3-4,9-15H2,1-2H3,(H2,27,37)(H,33,34)/p-1