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

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

CC1CCCC(N1C(C)CCCC2=C(C=CC3=C2NC(=O)C(=N3)C4=CC(=CC=C4)C(=N)N)SC)C

Isomeric SMILES

CC1CCCC(N1C(C)CCCC2=C(C=CC3=C2NC(=O)C(=N3)C4=CC(=CC=C4)C(=N)N)SC)C

InChI

InChI=1S/C28H37N5OS/c1-17-8-5-9-18(2)33(17)19(3)10-6-13-22-24(35-4)15-14-23-26(22)32-28(34)25(31-23)20-11-7-12-21(16-20)27(29)30/h7,11-12,14-19H,5-6,8-10,13H2,1-4H3,(H3,29,30)(H,32,34)