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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OC)OC

InChI

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