N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-pyrimidin-2-yl-thiazole-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-2-(2-pyrimidinyl)-4-thiazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(piperonylcarbamoyl)phenyl]-2-(2-pyrimidyl)thiazole-4-carboxamide Formula: C23H17N5O4S MolecularWeight: 459.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CSC(=N4)C5=NC=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CSC(=N4)C5=NC=CC=N5

InChI

InChI=1S/C23H17N5O4S/c29-21(26-11-14-6-7-18-19(10-14)32-13-31-18)15-4-1-2-5-16(15)27-22(30)17-12-33-23(28-17)20-24-8-3-9-25-20/h1-10,12H,11,13H2,(H,26,29)(H,27,30)