O-(3-pyridin-3-ylpropyl) 1-(3-cyclohexyl-2-oxidanylidene-propanoyl)pyrrolidine-2-carbothioate

Systemtic Name: O-(3-pyridin-3-ylpropyl) 1-(3-cyclohexyl-2-oxidanylidene-propanoyl)pyrrolidine-2-carbothioate Openeye Name: O-[3-(3-pyridyl)propyl] 1-(3-cyclohexyl-2-oxo-propanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3-cyclohexyl-1,2-dioxopropyl)-2-pyrrolidinecarbothioic acid O-[3-(3-pyridinyl)propyl] ester IUPAC Name: O-(3-pyridin-3-ylpropyl) 1-(3-cyclohexyl-2-oxopropanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(3-cyclohexyl-2-keto-propanoyl)pyrrolidine-2-carbothioic acid O-[3-(3-pyridyl)propyl] ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)C(=O)N2CCCC2C(=S)OCCCC3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)CC(=O)C(=O)N2CCCC2C(=S)OCCCC3=CN=CC=C3

InChI

InChI=1S/C22H30N2O3S/c25-20(15-17-7-2-1-3-8-17)21(26)24-13-5-11-19(24)22(28)27-14-6-10-18-9-4-12-23-16-18/h4,9,12,16-17,19H,1-3,5-8,10-11,13-15H2