N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(5-veratryl-1,3,4-thiadiazol-2-yl)-piperonylamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C19H17N3O5S/c1-24-13-5-3-11(7-15(13)25-2)8-17-21-22-19(28-17)20-18(23)12-4-6-14-16(9-12)27-10-26-14/h3-7,9H,8,10H2,1-2H3,(H,20,22,23)