3-[5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-7-sulfanyl-1H-quinolin-3-yl]benzenecarboximidamide

Systemtic Name: 3-[5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-7-sulfanyl-1H-quinolin-3-yl]benzenecarboximidamide Openeye Name: 3-[5-[1-(2,6-dimethyl-1-piperidyl)pentyl]-2-oxo-7-sulfanyl-1H-quinolin-3-yl]benzamidine CAS Name: 3-[5-[1-(2,6-dimethyl-1-piperidinyl)pentyl]-7-mercapto-2-oxo-1H-quinolin-3-yl]benzenecarboximidamide IUPAC Name: 3-[5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxo-7-sulfanyl-1H-quinolin-3-yl]benzenecarboximidamide Traditional Name: 3-[5-[1-(2,6-dimethylpiperidino)pentyl]-2-keto-7-mercapto-1H-quinolin-3-yl]benzamidine Formula: C28H36N4OS MolecularWeight: 476.67664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=CC2=C1C=C(C(=O)N2)C3=CC(=CC=C3)C(=N)N)S)N4C(CCCC4C)C

Isomeric SMILES

CCCCC(C1=CC(=CC2=C1C=C(C(=O)N2)C3=CC(=CC=C3)C(=N)N)S)N4C(CCCC4C)C

InChI

InChI=1S/C28H36N4OS/c1-4-5-12-26(32-17(2)8-6-9-18(32)3)24-14-21(34)15-25-23(24)16-22(28(33)31-25)19-10-7-11-20(13-19)27(29)30/h7,10-11,13-18,26,34H,4-6,8-9,12H2,1-3H3,(H3,29,30)(H,31,33)