3-(3,4-dimethoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H21N3O3S/c1-11(2)9-16-19-20-17(24-16)18-15(21)8-6-12-5-7-13(22-3)14(10-12)23-4/h5-8,10-11H,9H2,1-4H3,(H,18,20,21)