4-(2-butylsulfanylethoxy)-N-(2-cyanoethyl)-N-hexadecyl-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: 4-(2-butylsulfanylethoxy)-N-(2-cyanoethyl)-N-hexadecyl-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: 4-(2-butylsulfanylethoxy)-N-(2-cyanoethyl)-N-hexadecyl-1-hydroxy-naphthalene-2-carboxamide CAS Name: 4-[2-(butylthio)ethoxy]-N-(2-cyanoethyl)-N-hexadecyl-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: 4-(2-butylsulfanylethoxy)-N-(2-cyanoethyl)-N-hexadecyl-1-hydroxynaphthalene-2-carboxamide Traditional Name: 4-[2-(butylthio)ethoxy]-N-cetyl-N-(2-cyanoethyl)-1-hydroxy-2-naphthamide Formula: C36H56N2O3S MolecularWeight: 596.90644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCC#N)C(=O)C1=C(C2=CC=CC=C2C(=C1)OCCSCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCC#N)C(=O)C1=C(C2=CC=CC=C2C(=C1)OCCSCCCC)O

InChI

InChI=1S/C36H56N2O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-25-38(26-21-24-37)36(40)33-30-34(41-27-29-42-28-6-4-2)31-22-18-19-23-32(31)35(33)39/h18-19,22-23,30,39H,3-17,20-21,25-29H2,1-2H3