[2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-phenylbenzoate

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-phenylbenzoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-(4-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c1-2-28-14-16-29(17-15-28)26-27-23-13-12-22(18-24(23)32-26)31-25(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13,18H,2,14-17H2,1H3