2-(4-cyclopropylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)-1,3-benzothiazole

Systemtic Name: 2-(4-cyclopropylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)-1,3-benzothiazole Openeye Name: 2-(4-cyclopropylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)-1,3-benzothiazole CAS Name: 2-(4-cyclopropyl-1-piperazinyl)-6-(3,4-dimethoxyphenyl)-1,3-benzothiazole IUPAC Name: 2-(4-cyclopropylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)-1,3-benzothiazole Traditional Name: 2-(4-cyclopropylpiperazino)-6-(3,4-dimethoxyphenyl)-1,3-benzothiazole Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5CC5)OC

InChI

InChI=1S/C22H25N3O2S/c1-26-19-8-4-15(13-20(19)27-2)16-3-7-18-21(14-16)28-22(23-18)25-11-9-24(10-12-25)17-5-6-17/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3