N-(2-methoxyphenyl)-4-methyl-4-octadecylsulfanyl-3-oxidanylidene-pentanamide

Systemtic Name: N-(2-methoxyphenyl)-4-methyl-4-octadecylsulfanyl-3-oxidanylidene-pentanamide Openeye Name: N-(2-methoxyphenyl)-4-methyl-4-octadecylsulfanyl-3-oxo-pentanamide CAS Name: N-(2-methoxyphenyl)-4-methyl-4-(octadecylthio)-3-oxopentanamide IUPAC Name: N-(2-methoxyphenyl)-4-methyl-4-octadecylsulfanyl-3-oxopentanamide Traditional Name: 3-keto-N-(2-methoxyphenyl)-4-methyl-4-(stearylthio)valeramide Formula: C31H53NO3S MolecularWeight: 519.82242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(C)(C)C(=O)CC(=O)NC1=CC=CC=C1OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(C)(C)C(=O)CC(=O)NC1=CC=CC=C1OC

InChI

InChI=1S/C31H53NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-36-31(2,3)29(33)26-30(34)32-27-23-20-21-24-28(27)35-4/h20-21,23-24H,5-19,22,25-26H2,1-4H3,(H,32,34)