2-[4-[2-ethyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[2-ethyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(3-benzyl-2-ethyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[2-ethyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-[4-(3-benzyl-2-ethyl-5-nitroimidazol-4-yl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(3-benzyl-2-ethyl-5-nitro-imidazol-4-yl)piperazino]-1,3-benzothiazole Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=CC=C2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=CC=C2)N3CCN(CC3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O2S/c1-2-20-25-21(29(30)31)22(28(20)16-17-8-4-3-5-9-17)26-12-14-27(15-13-26)23-24-18-10-6-7-11-19(18)32-23/h3-11H,2,12-16H2,1H3