N-butyl-4-(hydroxymethyl)-6-methyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-butyl-4-(hydroxymethyl)-6-methyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyridine-3-carboxamide Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-N-butyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-N-butyl-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-N-butyl-4-(hydroxymethyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-N-butyl-6-methyl-4-methylol-nicotinamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N=C(C=C1CO)C)SCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=C(N=C(C=C1CO)C)SCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O3S/c1-3-4-10-21-19(26)18-15(12-24)11-14(2)22-20(18)27-13-17(25)23-16-8-6-5-7-9-16/h5-9,11,24H,3-4,10,12-13H2,1-2H3,(H,21,26)(H,23,25)