1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone

Systemtic Name: 1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone Openeye Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone CAS Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2,4-dimethylphenyl)ethanone IUPAC Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4-dimethylphenyl)ethanone Traditional Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-2-(2,4-dimethylphenyl)ethanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)C

InChI

InChI=1S/C21H22ClN3OS/c1-14-3-4-16(15(2)11-14)12-20(26)24-7-9-25(10-8-24)21-23-18-6-5-17(22)13-19(18)27-21/h3-6,11,13H,7-10,12H2,1-2H3