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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-ethanoylbenzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-acetylbenzoate CAS Name: 4-acetylbenzoic 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-acetylbenzoate Traditional Name: 4-acetylbenzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c1-18(30)19-7-9-20(10-8-19)25(31)32-22-11-12-23-24(17-22)33-26(27-23)29-15-13-28(14-16-29)21-5-3-2-4-6-21/h2-12,17H,13-16H2,1H3