4-(1,3-benzothiazol-2-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chlorophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-chlorophenyl)piperazino]butan-1-one Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22ClN3OS/c22-16-5-3-6-17(15-16)24-11-13-25(14-12-24)21(26)10-4-9-20-23-18-7-1-2-8-19(18)27-20/h1-3,5-8,15H,4,9-14H2