2-[4-chloranyl-2-(sulfanylmethyl)phenyl]sulfanyl-N-(2,4,6-trimethoxyphenyl)hexanamide

Systemtic Name: 2-[4-chloranyl-2-(sulfanylmethyl)phenyl]sulfanyl-N-(2,4,6-trimethoxyphenyl)hexanamide Openeye Name: 2-[4-chloro-2-(sulfanylmethyl)phenyl]sulfanyl-N-(2,4,6-trimethoxyphenyl)hexanamide CAS Name: 2-[[4-chloro-2-(mercaptomethyl)phenyl]thio]-N-(2,4,6-trimethoxyphenyl)hexanamide IUPAC Name: 2-[4-chloro-2-(sulfanylmethyl)phenyl]sulfanyl-N-(2,4,6-trimethoxyphenyl)hexanamide Traditional Name: 2-[[4-chloro-2-(mercaptomethyl)phenyl]thio]-N-(2,4,6-trimethoxyphenyl)hexanamide Formula: C22H28ClNO4S2 MolecularWeight: 470.04502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=C(C=C(C=C1OC)OC)OC)SC2=C(C=C(C=C2)Cl)CS

Isomeric SMILES

CCCCC(C(=O)NC1=C(C=C(C=C1OC)OC)OC)SC2=C(C=C(C=C2)Cl)CS

InChI

InChI=1S/C22H28ClNO4S2/c1-5-6-7-20(30-19-9-8-15(23)10-14(19)13-29)22(25)24-21-17(27-3)11-16(26-2)12-18(21)28-4/h8-12,20,29H,5-7,13H2,1-4H3,(H,24,25)