3-[5-[4-(2,2-dimethylpiperidin-1-yl)pentyl]-6-methylsulfanyl-3-oxidanylidene-4H-quinoxalin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[5-[4-(2,2-dimethylpiperidin-1-yl)pentyl]-6-methylsulfanyl-3-oxidanylidene-4H-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[5-[4-(2,2-dimethyl-1-piperidyl)pentyl]-6-methylsulfanyl-3-oxo-4H-quinoxalin-2-yl]benzamidine CAS Name: 3-[5-[4-(2,2-dimethyl-1-piperidinyl)pentyl]-6-(methylthio)-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide IUPAC Name: 3-[5-[4-(2,2-dimethylpiperidin-1-yl)pentyl]-6-methylsulfanyl-3-oxo-4H-quinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[5-[4-(2,2-dimethylpiperidino)pentyl]-3-keto-6-(methylthio)-4H-quinoxalin-2-yl]benzamidine Formula: C28H37N5OS MolecularWeight: 491.69128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=C(C=CC2=C1NC(=O)C(=N2)C3=CC(=CC=C3)C(=N)N)SC)N4CCCCC4(C)C

Isomeric SMILES

CC(CCCC1=C(C=CC2=C1NC(=O)C(=N2)C3=CC(=CC=C3)C(=N)N)SC)N4CCCCC4(C)C

InChI

InChI=1S/C28H37N5OS/c1-18(33-16-6-5-15-28(33,2)3)9-7-12-21-23(35-4)14-13-22-25(21)32-27(34)24(31-22)19-10-8-11-20(17-19)26(29)30/h8,10-11,13-14,17-18H,5-7,9,12,15-16H2,1-4H3,(H3,29,30)(H,32,34)