N-(2-methylquinolin-6-yl)-3-(pyridin-3-ylmethylsulfanyl)benzamide dihydrochloride

Systemtic Name: N-(2-methylquinolin-6-yl)-3-(pyridin-3-ylmethylsulfanyl)benzamide dihydrochloride Openeye Name: N-(2-methyl-6-quinolyl)-3-(3-pyridylmethylsulfanyl)benzamide dihydrochloride CAS Name: N-(2-methyl-6-quinolinyl)-3-(3-pyridinylmethylthio)benzamide dihydrochloride IUPAC Name: N-(2-methylquinolin-6-yl)-3-(pyridin-3-ylmethylsulfanyl)benzamide dihydrochloride Traditional Name: N-(2-methyl-6-quinolyl)-3-(3-pyridylmethylthio)benzamide dihydrochloride Formula: C23H21Cl2N3OS MolecularWeight: 458.40334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)SCC4=CN=CC=C4.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)SCC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C23H19N3OS.2ClH/c1-16-7-8-18-12-20(9-10-22(18)25-16)26-23(27)19-5-2-6-21(13-19)28-15-17-4-3-11-24-14-17;;/h2-14H,15H2,1H3,(H,26,27);2*1H