3-(1,3-benzothiazol-2-yl)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22ClN3OS/c1-15-6-7-16(22)14-18(15)24-10-12-25(13-11-24)21(26)9-8-20-23-17-4-2-3-5-19(17)27-20/h2-7,14H,8-13H2,1H3