2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]nicotinamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C2=C(N=CC=C2)SCC(=O)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C2=C(N=CC=C2)SCC(=O)N)C)C(C)(C)C

InChI

InChI=1S/C22H29N3O2S/c1-14-11-16(22(3,4)5)12-15(2)17(14)8-10-24-20(27)18-7-6-9-25-21(18)28-13-19(23)26/h6-7,9,11-12H,8,10,13H2,1-5H3,(H2,23,26)(H,24,27)