2-[3-(3-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioic S-acid

Systemtic Name: 2-[3-(3-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioic S-acid Openeye Name: 2-[3-(3-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioic S-acid CAS Name: 2-[3-(3-chlorophenyl)propyl]-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic S-acid IUPAC Name: 2-[3-(3-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioic S-acid Traditional Name: 2-[3-(3-chlorophenyl)propyl]-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic S-acid Formula: C21H28ClNO3S MolecularWeight: 409.96992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC2=CC(=CC=C2)Cl)C(=O)S

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC2=CC(=CC=C2)Cl)C(=O)S

InChI

InChI=1S/C21H28ClNO3S/c1-4-20(2,3)17(24)18(25)23-13-7-12-21(23,19(26)27)11-6-9-15-8-5-10-16(22)14-15/h5,8,10,14H,4,6-7,9,11-13H2,1-3H3,(H,26,27)