3-(1,3-benzothiazol-2-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(o-tolyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-methylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(o-tolyl)piperazino]propan-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS/c1-16-6-2-4-8-18(16)23-12-14-24(15-13-23)21(25)11-10-20-22-17-7-3-5-9-19(17)26-20/h2-9H,10-15H2,1H3