1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2-(2-pyridylthio)ethanone Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CSC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C18H17N5O3S2/c24-17(12-27-16-3-1-2-6-19-16)21-7-9-22(10-8-21)18-20-14-5-4-13(23(25)26)11-15(14)28-18/h1-6,11H,7-10,12H2