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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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