2-[1,4-diazepan-1-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[(4-benzoxy-3-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2S/c1-31-24-18-21(12-13-23(24)32-19-20-8-3-2-4-9-20)26(30-16-7-14-28-15-17-30)27-29-22-10-5-6-11-25(22)33-27/h2-6,8-13,18,26,28H,7,14-17,19H2,1H3