(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(phenylmethyl)benzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(phenylmethyl)benzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-benzylbenzoate CAS Name: 4-(phenylmethyl)benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-benzylbenzoate Traditional Name: 4-benzylbenzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N2O2S/c29-25(21-11-9-20(10-12-21)17-19-7-3-1-4-8-19)30-22-13-14-23-24(18-22)31-26(27-23)28-15-5-2-6-16-28/h1,3-4,7-14,18H,2,5-6,15-17H2