2-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(8-nitro-5-isoquinolyl)-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-(8-nitro-5-isoquinolinyl)-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(8-nitro-5-isoquinolyl)-4-piperidyl]-1,3-benzothiazole Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O2S/c26-25(27)19-6-5-18(15-7-10-22-13-16(15)19)24-11-8-14(9-12-24)21-23-17-3-1-2-4-20(17)28-21/h1-7,10,13-14H,8-9,11-12H2