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

Systemtic Name: [4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-(3,5-dimethylphenyl)methanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl)C

InChI

InChI=1S/C21H22ClN3OS/c1-13-10-14(2)12-16(11-13)20(26)24-6-8-25(9-7-24)21-23-19-15(3)17(22)4-5-18(19)27-21/h4-5,10-12H,6-9H2,1-3H3