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

Systemtic Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]thiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(3,5-dimethoxyphenyl)methylthio]methyl]-2-thiazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[(3,5-dimethoxybenzyl)thio]methyl]thiazol-2-yl]-piperonylamide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H20N2O5S2/c1-25-16-5-13(6-17(8-16)26-2)9-29-10-15-11-30-21(22-15)23-20(24)14-3-4-18-19(7-14)28-12-27-18/h3-8,11H,9-10,12H2,1-2H3,(H,22,23,24)