4-tert-butyl-N-(3-pyridin-2-ylsulfanylpropyl)benzamide hydrochloride

Systemtic Name: 4-tert-butyl-N-(3-pyridin-2-ylsulfanylpropyl)benzamide hydrochloride Openeye Name: 4-tert-butyl-N-[3-(2-pyridylsulfanyl)propyl]benzamide hydrochloride CAS Name: 4-tert-butyl-N-[3-(2-pyridinylthio)propyl]benzamide hydrochloride IUPAC Name: 4-tert-butyl-N-(3-pyridin-2-ylsulfanylpropyl)benzamide hydrochloride Traditional Name: 4-tert-butyl-N-[3-(2-pyridylthio)propyl]benzamide hydrochloride Formula: C19H25ClN2OS MolecularWeight: 364.9326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCSC2=CC=CC=N2.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCSC2=CC=CC=N2.Cl

InChI

InChI=1S/C19H24N2OS.ClH/c1-19(2,3)16-10-8-15(9-11-16)18(22)21-13-6-14-23-17-7-4-5-12-20-17;/h4-5,7-12H,6,13-14H2,1-3H3,(H,21,22);1H