N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethylphenoxy)methyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethylphenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3,5-dimethylphenoxy)methyl]-N-piperonyl-thiazole-4-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC(=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H20N2O4S/c1-13-5-14(2)7-16(6-13)25-10-20-23-17(11-28-20)21(24)22-9-15-3-4-18-19(8-15)27-12-26-18/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)