N-(3-methyl-4-methylsulfanyl-phenyl)-3-(4-octadecoxyphenyl)propanamide

Systemtic Name: N-(3-methyl-4-methylsulfanyl-phenyl)-3-(4-octadecoxyphenyl)propanamide Openeye Name: N-(3-methyl-4-methylsulfanyl-phenyl)-3-(4-octadecoxyphenyl)propanamide CAS Name: N-[3-methyl-4-(methylthio)phenyl]-3-(4-octadecoxyphenyl)propanamide IUPAC Name: N-(3-methyl-4-methylsulfanylphenyl)-3-(4-octadecoxyphenyl)propanamide Traditional Name: N-[3-methyl-4-(methylthio)phenyl]-3-(4-stearyloxyphenyl)propionamide Formula: C35H55NO2S MolecularWeight: 553.8817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)SC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)SC)C

InChI

InChI=1S/C35H55NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-38-33-24-20-31(21-25-33)22-27-35(37)36-32-23-26-34(39-3)30(2)29-32/h20-21,23-26,29H,4-19,22,27-28H2,1-3H3,(H,36,37)