1-(cyclohexylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioate

Systemtic Name: 1-(cyclohexylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioate Openeye Name: 1-(cyclohexylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioate CAS Name: 1-[(cyclohexylamino)-oxomethyl]-2-[3-(2,3,5-trimethylphenyl)propyl]-2-pyrrolidinecarbothioate IUPAC Name: 1-(cyclohexylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioate Traditional Name: 1-(cyclohexylcarbamoyl)-2-[3-(2,3,5-trimethylphenyl)propyl]pyrrolidine-2-carbothioate Formula: C24H35N2O2S- MolecularWeight: 415.6119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CCCC2(CCCN2C(=O)NC3CCCCC3)C(=S)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CCCC2(CCCN2C(=O)NC3CCCCC3)C(=S)[O-])C)C

InChI

InChI=1S/C24H36N2O2S/c1-17-15-18(2)19(3)20(16-17)9-7-12-24(22(27)29)13-8-14-26(24)23(28)25-21-10-5-4-6-11-21/h15-16,21H,4-14H2,1-3H3,(H,25,28)(H,27,29)/p-1