3-pyridin-3-ylpropyl (2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl (2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl (2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(cyclohexylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl (2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(cyclohexylthiocarbamoyl)pyrrolidine-2-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCC[C@H]2C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C20H29N3O2S/c24-19(25-14-6-8-16-7-4-12-21-15-16)18-11-5-13-23(18)20(26)22-17-9-2-1-3-10-17/h4,7,12,15,17-18H,1-3,5-6,8-11,13-14H2,(H,22,26)/t18-/m0/s1