3-(4-tert-butylphenyl)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 3-(4-tert-butylphenyl)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]propanamide CAS Name: 3-(4-tert-butylphenyl)-N-[2-[(2,4-dichlorophenyl)methylthio]ethyl]propanamide IUPAC Name: 3-(4-tert-butylphenyl)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 3-(4-tert-butylphenyl)-N-[2-[(2,4-dichlorobenzyl)thio]ethyl]propionamide Formula: C22H27Cl2NOS MolecularWeight: 424.42688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NCCSCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NCCSCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C22H27Cl2NOS/c1-22(2,3)18-8-4-16(5-9-18)6-11-21(26)25-12-13-27-15-17-7-10-19(23)14-20(17)24/h4-5,7-10,14H,6,11-13,15H2,1-3H3,(H,25,26)