N-(4-azanylcyclohexyl)-5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide hydrochloride

Systemtic Name: N-(4-azanylcyclohexyl)-5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide hydrochloride Openeye Name: N-(4-aminocyclohexyl)-5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide hydrochloride CAS Name: N-(4-aminocyclohexyl)-5-methyl-2-[3-(methylthio)phenoxy]-3-pyridinecarboxamide hydrochloride IUPAC Name: N-(4-aminocyclohexyl)-5-methyl-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide hydrochloride Traditional Name: N-(4-aminocyclohexyl)-5-methyl-2-[3-(methylthio)phenoxy]nicotinamide hydrochloride Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1)C(=O)NC2CCC(CC2)N)OC3=CC(=CC=C3)SC.Cl

Isomeric SMILES

CC1=CN=C(C(=C1)C(=O)NC2CCC(CC2)N)OC3=CC(=CC=C3)SC.Cl

InChI

InChI=1S/C20H25N3O2S.ClH/c1-13-10-18(19(24)23-15-8-6-14(21)7-9-15)20(22-12-13)25-16-4-3-5-17(11-16)26-2;/h3-5,10-12,14-15H,6-9,21H2,1-2H3,(H,23,24);1H