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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCSC2=CC(=C(C(=C2)Cl)O)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CCSC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C14H18Cl2N2O2S/c1-17-3-5-18(6-4-17)13(19)2-7-21-10-8-11(15)14(20)12(16)9-10/h8-9,20H,2-7H2,1H3