N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C22H26N2O4S/c1-26-19-12-16(13-20(27-2)22(19)28-3)8-9-21(25)24-10-11-29-15-18-7-5-4-6-17(18)14-23/h4-7,12-13H,8-11,15H2,1-3H3,(H,24,25)