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

Systemtic Name: N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-(1-methylimidazol-2-yl)-4-phenyl-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-(1-methyl-2-imidazolyl)-4-phenyl-2-thiazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(1-methylimidazol-2-yl)-4-phenyl-thiazol-2-yl]-piperonylamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=C(N=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CN1C=CN=C1C2=C(N=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H16N4O3S/c1-25-10-9-22-19(25)18-17(13-5-3-2-4-6-13)23-21(29-18)24-20(26)14-7-8-15-16(11-14)28-12-27-15/h2-11H,12H2,1H3,(H,23,24,26)