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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloro-2-methyl-phenyl)piperazino]butan-1-one Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24ClN3OS/c1-16-9-10-17(23)15-19(16)25-11-13-26(14-12-25)22(27)8-4-7-21-24-18-5-2-3-6-20(18)28-21/h2-3,5-6,9-10,15H,4,7-8,11-14H2,1H3