1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-4,4-bis[1-(4-fluorophenyl)butyl]pyrrolidine-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-4,4-bis[1-(4-fluorophenyl)butyl]pyrrolidine-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-4,4-bis[1-(4-fluorophenyl)butyl]pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-4,4-bis[1-(4-fluorophenyl)butyl]-2-pyrrolidinecarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-4,4-bis[1-(4-fluorophenyl)butyl]pyrrolidine-2-carbothioate Traditional Name: 4,4-bis[1-(4-fluorophenyl)butyl]-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioate Formula: C32H40F2NO3S- MolecularWeight: 556.726706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)F)C2(CC(N(C2)C(=O)C(=O)C(C)(C)CC)C(=S)[O-])C(CCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C1=CC=C(C=C1)F)C2(CC(N(C2)C(=O)C(=O)C(C)(C)CC)C(=S)[O-])C(CCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C32H41F2NO3S/c1-6-9-25(21-11-15-23(33)16-12-21)32(26(10-7-2)22-13-17-24(34)18-14-22)19-27(30(38)39)35(20-32)29(37)28(36)31(4,5)8-3/h11-18,25-27H,6-10,19-20H2,1-5H3,(H,38,39)/p-1