N'-[2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)ethyl]-N-phenethyl-hexanediamide

Systemtic Name: N'-[2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)ethyl]-N-phenethyl-hexanediamide Openeye Name: N'-[2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)ethyl]-N-phenethyl-hexanediamide CAS Name: N'-[2-[3,4-dimethoxy-2-(phenylthio)phenyl]ethyl]-N-phenethylhexanediamide IUPAC Name: N'-[2-(3,4-dimethoxy-2-phenylsulfanylphenyl)ethyl]-N-phenethylhexanediamide Traditional Name: N'-[2-[3,4-dimethoxy-2-(phenylthio)phenyl]ethyl]-N-phenethyl-adipamide Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=CC=C2)SC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=CC=C2)SC3=CC=CC=C3)OC

InChI

InChI=1S/C30H36N2O4S/c1-35-26-18-17-24(30(29(26)36-2)37-25-13-7-4-8-14-25)20-22-32-28(34)16-10-9-15-27(33)31-21-19-23-11-5-3-6-12-23/h3-8,11-14,17-18H,9-10,15-16,19-22H2,1-2H3,(H,31,33)(H,32,34)