5-chloranyl-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 5-chloranyl-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 5-chloro-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 5-chloro-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 5-chloro-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 5-chloro-3-[[4-(2,3-dimethylphenyl)piperazino]methyl]-1,3-benzothiazole-2-thione Formula: C20H22ClN3S2 MolecularWeight: 403.99178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C=CC(=C4)Cl)SC3=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C=CC(=C4)Cl)SC3=S)C

InChI

InChI=1S/C20H22ClN3S2/c1-14-4-3-5-17(15(14)2)23-10-8-22(9-11-23)13-24-18-12-16(21)6-7-19(18)26-20(24)25/h3-7,12H,8-11,13H2,1-2H3