3-(isoquinolin-4-ylmethoxy)-N-(2-methyl-4-methylsulfanyl-quinolin-6-yl)benzamide hydrochloride

Systemtic Name: 3-(isoquinolin-4-ylmethoxy)-N-(2-methyl-4-methylsulfanyl-quinolin-6-yl)benzamide hydrochloride Openeye Name: 3-(4-isoquinolylmethoxy)-N-(2-methyl-4-methylsulfanyl-6-quinolyl)benzamide hydrochloride CAS Name: 3-(4-isoquinolinylmethoxy)-N-[2-methyl-4-(methylthio)-6-quinolinyl]benzamide hydrochloride IUPAC Name: 3-(isoquinolin-4-ylmethoxy)-N-(2-methyl-4-methylsulfanylquinolin-6-yl)benzamide hydrochloride Traditional Name: 3-(4-isoquinolylmethoxy)-N-[2-methyl-4-(methylthio)-6-quinolyl]benzamide hydrochloride Formula: C28H24ClN3O2S MolecularWeight: 502.02706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CN=CC5=CC=CC=C54)C(=C1)SC.Cl

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CN=CC5=CC=CC=C54)C(=C1)SC.Cl

InChI

InChI=1S/C28H23N3O2S.ClH/c1-18-12-27(34-2)25-14-22(10-11-26(25)30-18)31-28(32)19-7-5-8-23(13-19)33-17-21-16-29-15-20-6-3-4-9-24(20)21;/h3-16H,17H2,1-2H3,(H,31,32);1H