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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)S)C=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)S)C=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

InChI

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