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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCCNCC4)OC)OC

InChI

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