4,5,6-trimethyl-2-[2-oxidanylidene-2-[(4-pentylphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-[(4-pentylphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pentylanilino)ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-(4-pentylanilino)ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pentylanilino)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-(4-amylanilino)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C22H29N3O2S MolecularWeight: 399.54956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=C2C(=O)N)C)C)C

InChI

InChI=1S/C22H29N3O2S/c1-5-6-7-8-17-9-11-18(12-10-17)25-19(26)13-28-22-20(21(23)27)15(3)14(2)16(4)24-22/h9-12H,5-8,13H2,1-4H3,(H2,23,27)(H,25,26)