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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(m-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(3-methylbenzyl)piperazino]propan-1-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS/c1-17-5-4-6-18(15-17)16-24-11-13-25(14-12-24)22(26)10-9-21-23-19-7-2-3-8-20(19)27-21/h2-8,15H,9-14,16H2,1H3