N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2,5-dimethylphenoxy)butanamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2,5-dimethylphenoxy)butanamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2,5-dimethylphenoxy)butanamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-2-(2,5-dimethylphenoxy)butanamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2,5-dimethylphenoxy)butanamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-2-(2,5-dimethylphenoxy)butyramide Formula: C21H26ClNO2S MolecularWeight: 391.95464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCSCC1=CC(=CC=C1)Cl)OC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(C(=O)NCCSCC1=CC(=CC=C1)Cl)OC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H26ClNO2S/c1-4-19(25-20-12-15(2)8-9-16(20)3)21(24)23-10-11-26-14-17-6-5-7-18(22)13-17/h5-9,12-13,19H,4,10-11,14H2,1-3H3,(H,23,24)