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

Systemtic Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-6-sulfanyl-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-6-sulfanyl-quinoxalin-2-yl]benzamidine CAS Name: 3-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-6-mercapto-3-oxo-2-quinoxalinyl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-6-sulfanylquinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-6-mercapto-quinoxalin-2-yl]benzamidine Formula: C27H35N5OS MolecularWeight: 477.6647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5OS/c1-18-8-6-9-19(2)31(18)14-4-3-5-15-32-24-17-22(34)12-13-23(24)30-25(27(32)33)20-10-7-11-21(16-20)26(28)29/h7,10-13,16-19,34H,3-6,8-9,14-15H2,1-2H3,(H3,28,29)