1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-(3-naphthalen-2-ylpropyl)pyrrolidine-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-(3-naphthalen-2-ylpropyl)pyrrolidine-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-2-[3-(2-naphthyl)propyl]pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-[3-(2-naphthalenyl)propyl]-2-pyrrolidinecarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-2-(3-naphthalen-2-ylpropyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-2-[3-(2-naphthyl)propyl]pyrrolidine-2-carbothioate Formula: C25H30NO3S- MolecularWeight: 424.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC2=CC3=CC=CC=C3C=C2)C(=S)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC2=CC3=CC=CC=C3C=C2)C(=S)[O-]

InChI

InChI=1S/C25H31NO3S/c1-4-24(2,3)21(27)22(28)26-16-8-15-25(26,23(29)30)14-7-9-18-12-13-19-10-5-6-11-20(19)17-18/h5-6,10-13,17H,4,7-9,14-16H2,1-3H3,(H,29,30)/p-1