2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(5-chloro-2-methyl-phenyl)piperazino]ethanone Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H20ClN3O2S/c1-14-6-7-15(21)12-17(14)23-8-10-24(11-9-23)19(25)13-27-20-22-16-4-2-3-5-18(16)26-20/h2-7,12H,8-11,13H2,1H3