2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-ethylphenyl)-4,6-dimethyl-pyridine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H29N3O2S/c1-7-16-8-10-17(11-9-16)24-20(27)19-14(2)12-15(3)23-21(19)28-13-18(26)25-22(4,5)6/h8-12H,7,13H2,1-6H3,(H,24,27)(H,25,26)