2-(1,3-benzodioxol-5-ylcarbonylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-N-[2-(4-pyridyl)ethyl]thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-N-(2-pyridin-4-ylethyl)-4-thiazolecarboxamide IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(piperonyloylamino)-N-[2-(4-pyridyl)ethyl]thiazole-4-carboxamide Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC(=CS3)C(=O)NCCC4=CC=NC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC(=CS3)C(=O)NCCC4=CC=NC=C4

InChI

InChI=1S/C19H16N4O4S/c24-17(13-1-2-15-16(9-13)27-11-26-15)23-19-22-14(10-28-19)18(25)21-8-5-12-3-6-20-7-4-12/h1-4,6-7,9-10H,5,8,11H2,(H,21,25)(H,22,23,24)