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

Systemtic Name: 2-[1,4-diazepan-1-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzyloxy-3-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[(4-benzoxy-3-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2S/c1-2-32-25-19-22(13-14-24(25)33-20-21-9-4-3-5-10-21)27(31-17-8-15-29-16-18-31)28-30-23-11-6-7-12-26(23)34-28/h3-7,9-14,19,27,29H,2,8,15-18,20H2,1H3