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

Systemtic Name: 2-[piperazin-1-yl-(2,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[piperazin-1-yl-(2,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[1-piperazinyl-(2,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[piperazin-1-yl-(2,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-[asaryl(piperazino)methyl]-1,3-benzothiazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-25-16-13-18(27-3)17(26-2)12-14(16)20(24-10-8-22-9-11-24)21-23-15-6-4-5-7-19(15)28-21/h4-7,12-13,20,22H,8-11H2,1-3H3