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

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2-phenoxy-ethanone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C19H18N4O4S/c24-18(13-27-15-4-2-1-3-5-15)21-8-10-22(11-9-21)19-20-16-7-6-14(23(25)26)12-17(16)28-19/h1-7,12H,8-11,13H2