N-butyl-2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-butyl-2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-butyl-2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-butyl-2-[[2-(butylamino)-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-butyl-2-[2-(butylamino)-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-butyl-2-[[2-(butylamino)-2-keto-ethyl]thio]nicotinamide Formula: C16H25N3O2S MolecularWeight: 323.4536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=C(C=CC=N1)C(=O)NCCCC

Isomeric SMILES

CCCCNC(=O)CSC1=C(C=CC=N1)C(=O)NCCCC

InChI

InChI=1S/C16H25N3O2S/c1-3-5-9-17-14(20)12-22-16-13(8-7-11-19-16)15(21)18-10-6-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,20)(H,18,21)