(5-chloranyl-2-methoxy-phenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-13-4-7-18-19(14(13)2)23-21(28-18)25-10-8-24(9-11-25)20(26)16-12-15(22)5-6-17(16)27-3/h4-7,12H,8-11H2,1-3H3