1-[4-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[4-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone CAS Name: 1-[4-[[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[4-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C22H23N3O2S/c1-14-12-19-20(13-15(14)2)28-22(23-19)25-10-8-24(9-11-25)21(27)18-6-4-17(5-7-18)16(3)26/h4-7,12-13H,8-11H2,1-3H3