2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide hydrochloride

Systemtic Name: 2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide hydrochloride Openeye Name: 2-[(2-amino-4-pyridyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide hydrochloride CAS Name: 2-[(2-amino-4-pyridinyl)methylthio]-N-(3,5-dimethylphenyl)benzamide hydrochloride IUPAC Name: 2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide hydrochloride Traditional Name: 2-[(2-amino-4-pyridyl)methylthio]-N-(3,5-dimethylphenyl)benzamide hydrochloride Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2SCC3=CC(=NC=C3)N)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2SCC3=CC(=NC=C3)N)C.Cl

InChI

InChI=1S/C21H21N3OS.ClH/c1-14-9-15(2)11-17(10-14)24-21(25)18-5-3-4-6-19(18)26-13-16-7-8-23-20(22)12-16;/h3-12H,13H2,1-2H3,(H2,22,23)(H,24,25);1H