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

Systemtic Name: 2-(4-ethylphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]-2-oxidanyl-ethanethioamide Openeye Name: 2-(4-ethylphenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethyl]thioacetamide CAS Name: 2-(4-ethylphenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]ethanethioamide IUPAC Name: 2-(4-ethylphenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]ethanethioamide Traditional Name: 2-(4-ethylphenyl)-2-hydroxy-N-[2-(3-methoxy-4-propargyloxy-phenyl)ethyl]thioacetamide Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=S)NCCC2=CC(=C(C=C2)OCC#C)OC)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(=S)NCCC2=CC(=C(C=C2)OCC#C)OC)O

InChI

InChI=1S/C22H25NO3S/c1-4-14-26-19-11-8-17(15-20(19)25-3)12-13-23-22(27)21(24)18-9-6-16(5-2)7-10-18/h1,6-11,15,21,24H,5,12-14H2,2-3H3,(H,23,27)