1-[2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-4-methyl-piperazin-1-yl]propan-1-one

Systemtic Name: 1-[2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanyl-4-methyl-piperazin-1-yl]propan-1-one Openeye Name: 1-[2-(3,5-dichloro-4-hydroxy-phenyl)sulfanyl-4-methyl-piperazin-1-yl]propan-1-one CAS Name: 1-[2-[(3,5-dichloro-4-hydroxyphenyl)thio]-4-methyl-1-piperazinyl]-1-propanone IUPAC Name: 1-[2-(3,5-dichloro-4-hydroxyphenyl)sulfanyl-4-methylpiperazin-1-yl]propan-1-one Traditional Name: 1-[2-[(3,5-dichloro-4-hydroxy-phenyl)thio]-4-methyl-piperazino]propan-1-one Formula: C14H18Cl2N2O2S MolecularWeight: 349.27592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1SC2=CC(=C(C(=C2)Cl)O)Cl)C

Isomeric SMILES

CCC(=O)N1CCN(CC1SC2=CC(=C(C(=C2)Cl)O)Cl)C

InChI

InChI=1S/C14H18Cl2N2O2S/c1-3-12(19)18-5-4-17(2)8-13(18)21-9-6-10(15)14(20)11(16)7-9/h6-7,13,20H,3-5,8H2,1-2H3