2-[1,4-diazepan-1-yl-(2-phenylmethoxyphenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-(2-phenylmethoxyphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[(2-benzyloxyphenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(2-phenylmethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(2-phenylmethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[(2-benzoxyphenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H27N3OS/c1-2-9-20(10-3-1)19-30-23-13-6-4-11-21(23)25(29-17-8-15-27-16-18-29)26-28-22-12-5-7-14-24(22)31-26/h1-7,9-14,25,27H,8,15-19H2