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

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(phenylmethyl)benzoate Openeye Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-benzylbenzoate CAS Name: 4-(phenylmethyl)benzoic 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-benzylbenzoate Traditional Name: 4-benzylbenzoic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H25N3O2S MolecularWeight: 443.5606

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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)CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c1-28-13-15-29(16-14-28)26-27-23-12-11-22(18-24(23)32-26)31-25(30)21-9-7-20(8-10-21)17-19-5-3-2-4-6-19/h2-12,18H,13-17H2,1H3