2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]-2-methylsulfanyl-ethanamide

Systemtic Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]-2-methylsulfanyl-ethanamide Openeye Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]-2-methylsulfanyl-acetamide CAS Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(methylthio)acetamide IUPAC Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-methylsulfanylacetamide Traditional Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-propargyloxy-phenyl)ethyl]-2-(methylthio)acetamide Formula: C21H22BrNO3S MolecularWeight: 448.37328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Br)SC)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Br)SC)OCC#C

InChI

InChI=1S/C21H22BrNO3S/c1-4-13-26-18-10-5-15(14-19(18)25-2)11-12-23-21(24)20(27-3)16-6-8-17(22)9-7-16/h1,5-10,14,20H,11-13H2,2-3H3,(H,23,24)