(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-yl-prop-2-enethioamide

Systemtic Name: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-yl-prop-2-enethioamide Openeye Name: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyridyl)prop-2-enethioamide CAS Name: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyridinyl)-2-propenethioamide IUPAC Name: (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enethioamide Traditional Name: (E)-N-homoveratryl-3-(3-pyridyl)thioacrylamide Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)C=CC2=CN=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)/C=C/C2=CN=CC=C2)OC

InChI

InChI=1S/C18H20N2O2S/c1-21-16-7-5-14(12-17(16)22-2)9-11-20-18(23)8-6-15-4-3-10-19-13-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,20,23)/b8-6+