[4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [4-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenyl-methanone Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O4S/c30-23(17-4-2-1-3-5-17)18-6-8-19(9-7-18)24(31)27-12-14-28(15-13-27)25-26-21-11-10-20(29(32)33)16-22(21)34-25/h1-11,16H,12-15H2