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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OC)OC

InChI

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