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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)C)C

InChI

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