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

Systemtic Name: N-[2-[(8-methyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]phenyl]-2-phenoxy-butanamide Openeye Name: N-[2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]phenyl]-2-phenoxy-butanamide CAS Name: N-[2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylthio]phenyl]-2-phenoxybutanamide IUPAC Name: N-[2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]phenyl]-2-phenoxybutanamide Traditional Name: N-[2-[(4-keto-8-methyl-1H-quinolin-2-yl)methylthio]phenyl]-2-phenoxy-butyramide Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1SCC2=CC(=O)C3=C(N2)C(=CC=C3)C)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1SCC2=CC(=O)C3=C(N2)C(=CC=C3)C)OC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3S/c1-3-24(32-20-11-5-4-6-12-20)27(31)29-22-14-7-8-15-25(22)33-17-19-16-23(30)21-13-9-10-18(2)26(21)28-19/h4-16,24H,3,17H2,1-2H3,(H,28,30)(H,29,31)