N-butyl-12-[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-methyl-dodecanamide

Systemtic Name: N-butyl-12-[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-methyl-dodecanamide Openeye Name: N-butyl-12-[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-methyl-dodecanamide CAS Name: N-butyl-12-[[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]-N-methyldodecanamide IUPAC Name: N-butyl-12-[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-methyldodecanamide Traditional Name: N-butyl-12-[[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]-N-methyl-lauramide Formula: C32H49NO3S MolecularWeight: 527.80136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CCCCCCCCCCCSC(CC1=CC=C(C=C1)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN(C)C(=O)CCCCCCCCCCCSC(CC1=CC=C(C=C1)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C32H49NO3S/c1-4-5-24-33(2)32(35)15-13-11-9-7-6-8-10-12-14-25-37-31(26-27-16-20-29(34)21-17-27)28-18-22-30(36-3)23-19-28/h16-23,31,34H,4-15,24-26H2,1-3H3