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

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-phenylbenzoate Openeye Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2S/c1-27-13-15-28(16-14-27)25-26-22-12-11-21(17-23(22)31-25)30-24(29)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3