2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(8-methylquinolin-5-yl)benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(8-methylquinolin-5-yl)benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-(8-methyl-5-quinolyl)benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-(8-methyl-5-quinolinyl)benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(8-methylquinolin-5-yl)benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-(8-methyl-5-quinolyl)benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4)C=CC=N2

InChI

InChI=1S/C26H29N3O2S/c1-18-13-14-22(20-11-7-15-27-25(18)20)29-26(31)21-10-5-6-12-23(21)32-17-24(30)28-16-19-8-3-2-4-9-19/h5-7,10-15,19H,2-4,8-9,16-17H2,1H3,(H,28,30)(H,29,31)