[4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-3-nitro-phenyl]-phenyl-methanone Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O3S/c1-18(26-27-21-9-5-6-10-24(21)34-26)28-13-15-29(16-14-28)22-12-11-20(17-23(22)30(32)33)25(31)19-7-3-2-4-8-19/h2-12,17-18H,13-16H2,1H3