3-[(3-chlorophenyl)methylsulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide CAS Name: 3-[(3-chlorophenyl)methylthio]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide Traditional Name: 3-[(3-chlorobenzyl)thio]-N-[2-(3,4-diethoxyphenyl)ethyl]propionamide Formula: C22H28ClNO3S MolecularWeight: 421.98062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CCSCC2=CC(=CC=C2)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CCSCC2=CC(=CC=C2)Cl)OCC

InChI

InChI=1S/C22H28ClNO3S/c1-3-26-20-9-8-17(15-21(20)27-4-2)10-12-24-22(25)11-13-28-16-18-6-5-7-19(23)14-18/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,24,25)