N-butan-2-yl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-butan-2-yl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-N-sec-butyl-pyridine-3-carboxamide CAS Name: N-butan-2-yl-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-butan-2-yl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]-N-sec-butyl-nicotinamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(N=CC=C1)SCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)C1=C(N=CC=C1)SCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-3-15(2)23-19(25)17-10-7-12-22-20(17)26-14-18(24)21-13-11-16-8-5-4-6-9-16/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,21,24)(H,23,25)