3-(4-methylquinolin-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(4-methylquinolin-2-yl)sulfanylazepan-2-one Openeye Name: 3-[(4-methyl-2-quinolyl)sulfanyl]azepan-2-one CAS Name: 3-[(4-methyl-2-quinolinyl)thio]-2-azepanone IUPAC Name: 3-(4-methylquinolin-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(4-methyl-2-quinolyl)thio]azepan-2-one Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC3CCCCNC3=O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC3CCCCNC3=O

InChI

InChI=1S/C16H18N2OS/c1-11-10-15(18-13-7-3-2-6-12(11)13)20-14-8-4-5-9-17-16(14)19/h2-3,6-7,10,14H,4-5,8-9H2,1H3,(H,17,19)