(2-azanyl-5-pyridin-4-yl-1,3-thiazol-4-yl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-azanyl-5-pyridin-4-yl-1,3-thiazol-4-yl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: [2-amino-5-(4-pyridyl)thiazol-4-yl]-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone CAS Name: (2-amino-5-pyridin-4-yl-4-thiazolyl)-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-amino-5-pyridin-4-yl-1,3-thiazol-4-yl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-amino-5-(4-pyridyl)thiazol-4-yl]-(4-piperonylpiperazino)methanone Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(SC(=N4)N)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(SC(=N4)N)C5=CC=NC=C5

InChI

InChI=1S/C21H21N5O3S/c22-21-24-18(19(30-21)15-3-5-23-6-4-15)20(27)26-9-7-25(8-10-26)12-14-1-2-16-17(11-14)29-13-28-16/h1-6,11H,7-10,12-13H2,(H2,22,24)