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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

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