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

Systemtic Name: S-(3-pyridin-3-ylpropyl) 1-(cyclohexylcarbamothioyl)pyrrolidine-2-carbothioate Openeye Name: S-[3-(3-pyridyl)propyl] 1-(cyclohexylcarbamothioyl)pyrrolidine-2-carbothioate CAS Name: 1-[(cyclohexylamino)-sulfanylidenemethyl]-2-pyrrolidinecarbothioic acid S-[3-(3-pyridinyl)propyl] ester IUPAC Name: S-(3-pyridin-3-ylpropyl) 1-(cyclohexylcarbamothioyl)pyrrolidine-2-carbothioate Traditional Name: 1-(cyclohexylthiocarbamoyl)pyrrolidine-2-carbothioic acid S-[3-(3-pyridyl)propyl] ester Formula: C20H29N3OS2 MolecularWeight: 391.59376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCCC2C(=O)SCCCC3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCCC2C(=O)SCCCC3=CN=CC=C3

InChI

InChI=1S/C20H29N3OS2/c24-19(26-14-6-8-16-7-4-12-21-15-16)18-11-5-13-23(18)20(25)22-17-9-2-1-3-10-17/h4,7,12,15,17-18H,1-3,5-6,8-11,13-14H2,(H,22,25)