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

Systemtic Name: N-[(4-cyanophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide Openeye Name: N-[(4-cyanophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxy-phenyl)propanethioamide CAS Name: N-[(4-cyanophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanethioamide IUPAC Name: N-[(4-cyanophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanethioamide Traditional Name: N-(4-cyanobenzyl)-3-(3-methoxy-4-propargyloxy-phenyl)thiopropionamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-3-12-25-19-10-8-16(13-20(19)24-2)9-11-21(26)23-15-18-6-4-17(14-22)5-7-18/h1,4-8,10,13H,9,11-12,15H2,2H3,(H,23,26)