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

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-[4-(phenylmethyl)phenyl]methanone Openeye Name: (4-benzylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(phenylmethyl)phenyl]methanone IUPAC Name: (4-benzylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4-benzylphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone 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)C4=CC=C(C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

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