3-(3-methoxy-4-prop-2-ynoxy-phenyl)-N-[(4-methylsulfanylphenyl)methyl]propanethioamide

Systemtic Name: 3-(3-methoxy-4-prop-2-ynoxy-phenyl)-N-[(4-methylsulfanylphenyl)methyl]propanethioamide Openeye Name: 3-(3-methoxy-4-prop-2-ynoxy-phenyl)-N-[(4-methylsulfanylphenyl)methyl]propanethioamide CAS Name: 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[[4-(methylthio)phenyl]methyl]propanethioamide IUPAC Name: 3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]propanethioamide Traditional Name: 3-(3-methoxy-4-propargyloxy-phenyl)-N-[4-(methylthio)benzyl]thiopropionamide Formula: C21H23NO2S2 MolecularWeight: 385.54282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=S)NCC2=CC=C(C=C2)SC)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=S)NCC2=CC=C(C=C2)SC)OCC#C

InChI

InChI=1S/C21H23NO2S2/c1-4-13-24-19-11-7-16(14-20(19)23-2)8-12-21(25)22-15-17-5-9-18(26-3)10-6-17/h1,5-7,9-11,14H,8,12-13,15H2,2-3H3,(H,22,25)