N-butyl-N-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]octanamide

Systemtic Name: N-butyl-N-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]octanamide Openeye Name: N-[2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-butyl-octanamide CAS Name: N-butyl-N-[2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]octanamide IUPAC Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyloctanamide Traditional Name: N-[2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-N-butyl-caprylamide Formula: C26H38N2O2S MolecularWeight: 442.65712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCCC)CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2

Isomeric SMILES

CCCCCCCC(=O)N(CCCC)CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2

InChI

InChI=1S/C26H38N2O2S/c1-3-5-7-8-12-17-25(29)27(18-6-4-2)22-26(30)28(21-24-16-13-19-31-24)20-23-14-10-9-11-15-23/h9-11,13-16,19H,3-8,12,17-18,20-22H2,1-2H3