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

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(phenylmethyl)benzoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-benzylbenzoate CAS Name: 4-(phenylmethyl)benzoic 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-benzylbenzoate Traditional Name: 4-benzylbenzoic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C27H27N3O2S MolecularWeight: 457.58718

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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)CC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c1-2-29-14-16-30(17-15-29)27-28-24-13-12-23(19-25(24)33-27)32-26(31)22-10-8-21(9-11-22)18-20-6-4-3-5-7-20/h3-13,19H,2,14-18H2,1H3