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

Systemtic Name: 2-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl-(3,4-dimethoxyphenyl)methyl]-1,3-benzothiazole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-25-17-9-8-15(14-18(17)26-2)20(24-12-5-10-22-11-13-24)21-23-16-6-3-4-7-19(16)27-21/h3-4,6-9,14,20,22H,5,10-13H2,1-2H3