[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-bromanylbenzoate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-bromanylbenzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H20BrN3O2S/c25-18-8-6-17(7-9-18)23(29)30-20-10-11-21-22(16-20)31-24(26-21)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,16H,12-15H2