N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-pyridin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-pyridin-2-yl-piperazine-1-carboxamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]thiazol-2-yl]-4-(2-pyridyl)piperazine-1-carboxamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-thiazolyl]-4-(2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thiazol-2-yl]-4-(2-pyridyl)piperazine-1-carboxamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)NC3=NC(=CS3)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)NC3=NC(=CS3)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N6O4S/c29-20(24-15-4-5-17-18(11-15)32-14-31-17)12-16-13-33-21(25-16)26-22(30)28-9-7-27(8-10-28)19-3-1-2-6-23-19/h1-6,11,13H,7-10,12,14H2,(H,24,29)(H,25,26,30)