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

Systemtic Name: phenacyl 4-[3-(3,5-dimethylpiperidin-1-yl)carbothioylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-(3,5-dimethylpiperidine-1-carbothioyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[(3,5-dimethyl-1-piperidinyl)-sulfanylidenemethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(3,5-dimethylpiperidine-1-carbothioyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3,5-dimethylpiperidine-1-carbothioyl)thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C27H28N2O5S2 MolecularWeight: 524.65162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=S)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=S)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O5S2/c1-17-12-18(2)15-28(14-17)27(35)36-23-13-24(31)29(25(23)32)21-10-8-20(9-11-21)26(33)34-16-22(30)19-6-4-3-5-7-19/h3-11,17-18,23H,12-16H2,1-2H3