2-(4-chloranylphenoxy)-2-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]propan-1-one Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C(C)(C)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C(C)(C)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-15-4-9-18-19(14-15)29-21(24-18)26-12-10-25(11-13-26)20(27)22(2,3)28-17-7-5-16(23)6-8-17/h4-9,14H,10-13H2,1-3H3