2-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4

InChI

InChI=1S/C22H27N3O3S/c1-26-17-13-15(14-18(27-2)21(17)28-3)20(25-11-6-9-23-10-12-25)22-24-16-7-4-5-8-19(16)29-22/h4-5,7-8,13-14,20,23H,6,9-12H2,1-3H3