N-[2-[(8-methyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(8-methyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide CAS Name: N-[2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylthio]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[2-[(4-keto-8-methyl-1H-quinolin-2-yl)methylthio]phenyl]adamantane-1-carboxamide Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=CC2=O)CSC3=CC=CC=C3NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC2=C1NC(=CC2=O)CSC3=CC=CC=C3NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H30N2O2S/c1-17-5-4-6-22-24(31)12-21(29-26(17)22)16-33-25-8-3-2-7-23(25)30-27(32)28-13-18-9-19(14-28)11-20(10-18)15-28/h2-8,12,18-20H,9-11,13-16H2,1H3,(H,29,31)(H,30,32)