phenacyl 4-[2,5-bis(oxidanylidene)-3-piperidin-1-ylcarbothioylsulfanyl-pyrrolidin-1-yl]benzoate

Systemtic Name: phenacyl 4-[2,5-bis(oxidanylidene)-3-piperidin-1-ylcarbothioylsulfanyl-pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[2,5-dioxo-3-(piperidine-1-carbothioylsulfanyl)pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-[[1-piperidinyl(sulfanylidene)methyl]thio]-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[2,5-dioxo-3-(piperidine-1-carbothioylsulfanyl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(piperidine-1-carbothioylthio)pyrrolidino]benzoic acid phenacyl ester Formula: C25H24N2O5S2 MolecularWeight: 496.59846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=S)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S2/c28-20(17-7-3-1-4-8-17)16-32-24(31)18-9-11-19(12-10-18)27-22(29)15-21(23(27)30)34-25(33)26-13-5-2-6-14-26/h1,3-4,7-12,21H,2,5-6,13-16H2