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

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-2,2-diphenyl-ethanone Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-24(23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)27-13-15-28(16-14-27)25-26-21-12-11-20(29(31)32)17-22(21)33-25/h1-12,17,23H,13-16H2