[5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-ethyl-4-propan-2-yl-imidazol-2-yl]methyl N-octanoylcarbamate

Systemtic Name: [5-[3,5-bis(chloranyl)phenyl]sulfanyl-1-ethyl-4-propan-2-yl-imidazol-2-yl]methyl N-octanoylcarbamate Openeye Name: [5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-isopropyl-imidazol-2-yl]methyl N-octanoylcarbamate CAS Name: N-(1-oxooctyl)carbamic acid [5-[(3,5-dichlorophenyl)thio]-1-ethyl-4-propan-2-yl-2-imidazolyl]methyl ester IUPAC Name: [5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl N-octanoylcarbamate Traditional Name: N-caprylylcarbamic acid [5-[(3,5-dichlorophenyl)thio]-1-ethyl-4-isopropyl-imidazol-2-yl]methyl ester Formula: C24H33Cl2N3O3S MolecularWeight: 514.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=O)OCC1=NC(=C(N1CC)SC2=CC(=CC(=C2)Cl)Cl)C(C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=O)OCC1=NC(=C(N1CC)SC2=CC(=CC(=C2)Cl)Cl)C(C)C

InChI

InChI=1S/C24H33Cl2N3O3S/c1-5-7-8-9-10-11-21(30)28-24(31)32-15-20-27-22(16(3)4)23(29(20)6-2)33-19-13-17(25)12-18(26)14-19/h12-14,16H,5-11,15H2,1-4H3,(H,28,30,31)