3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-2-sulfanylidene-propanamide hydrochloride

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-2-sulfanylidene-propanamide hydrochloride Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-methyl-N-[2-(2-pyridyl)ethyl]-2-thioxo-propanamide hydrochloride CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[2-(2-pyridinyl)ethyl]-2-sulfanylidenepropanamide hydrochloride IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-2-sulfanylidenepropanamide hydrochloride Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-methyl-N-[2-(2-pyridyl)ethyl]-2-thioxo-propionamide hydrochloride Formula: C25H35ClN2O2S MolecularWeight: 463.0756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=S)C(=O)N(C)CCC2=CC=CC=N2.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=S)C(=O)N(C)CCC2=CC=CC=N2.Cl

InChI

InChI=1S/C25H34N2O2S.ClH/c1-24(2,3)19-14-17(15-20(22(19)28)25(4,5)6)16-21(30)23(29)27(7)13-11-18-10-8-9-12-26-18;/h8-10,12,14-15,28H,11,13,16H2,1-7H3;1H