3-(3-bromanyl-4-methoxy-phenyl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(3-bromo-4-methoxy-phenyl)propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(3-bromo-4-methoxyphenyl)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(3-bromo-4-methoxy-phenyl)propionamide Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCSCC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCSCC2=CC=CC=C2)Br

InChI

InChI=1S/C19H22BrNO2S/c1-23-18-9-7-15(13-17(18)20)8-10-19(22)21-11-12-24-14-16-5-3-2-4-6-16/h2-7,9,13H,8,10-12,14H2,1H3,(H,21,22)