N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-acetamide CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-phenylacetamide IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-[(3S)-1,1-diketothiolan-3-yl]-N-phenyl-acetamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N([C@H]2CCS(=O)(=O)C2)C3=CC=CC=C3)C4CCCCC4)C

InChI

InChI=1S/C23H31N3O3S2/c1-17-18(2)25(19-9-5-3-6-10-19)23(24-17)30-15-22(27)26(20-11-7-4-8-12-20)21-13-14-31(28,29)16-21/h4,7-8,11-12,19,21H,3,5-6,9-10,13-16H2,1-2H3/t21-/m0/s1