2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]-2-oxidanyl-ethanethioamide

Systemtic Name: 2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]-2-oxidanyl-ethanethioamide Openeye Name: 2-(4-bromophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]thioacetamide CAS Name: 2-(4-bromophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]ethanethioamide IUPAC Name: 2-(4-bromophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]ethanethioamide Traditional Name: 2-(4-bromophenyl)-2-hydroxy-N-[2-(3-methoxy-4-propargyloxy-phenyl)ethyl]thioacetamide Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3S/c1-3-12-25-17-9-4-14(13-18(17)24-2)10-11-22-20(26)19(23)15-5-7-16(21)8-6-15/h1,4-9,13,19,23H,10-12H2,2H3,(H,22,26)