2-[1,4-diazepan-1-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[(4-benzoxy-3,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C28H31N3O3S MolecularWeight: 489.62904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCCNCC5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCCNCC5

InChI

InChI=1S/C28H31N3O3S/c1-32-23-17-21(18-24(33-2)27(23)34-19-20-9-4-3-5-10-20)26(31-15-8-13-29-14-16-31)28-30-22-11-6-7-12-25(22)35-28/h3-7,9-12,17-18,26,29H,8,13-16,19H2,1-2H3