(E)-3-(3,4-dimethoxyphenyl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O3S/c1-26-17-11-8-16(14-18(17)27-2)9-12-19(25)22-21-24-23-20(28-21)13-10-15-6-4-3-5-7-15/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,24,25)/b12-9+