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

Systemtic Name: 2-[1,4-diazepan-1-yl-(3-phenylmethoxyphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[(3-benzyloxyphenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3-phenylmethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3-phenylmethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[(3-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=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

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