[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H25N3O3S/c31-25(30-16-14-29(15-17-30)18-20-8-2-1-3-9-20)19-33-27(32)22-11-5-4-10-21(22)26-28-23-12-6-7-13-24(23)34-26/h1-13H,14-19H2