1-(2-chloranyl-4-hexylsulfanyl-phenyl)-3-(4-ethanoylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-(2-chloranyl-4-hexylsulfanyl-phenyl)-3-(4-ethanoylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-acetylpiperazin-1-yl)-1-(2-chloro-4-hexylsulfanyl-phenyl)propan-1-one CAS Name: 3-(4-acetyl-1-piperazinyl)-1-[2-chloro-4-(hexylthio)phenyl]-1-propanone IUPAC Name: 3-(4-acetylpiperazin-1-yl)-1-(2-chloro-4-hexylsulfanylphenyl)propan-1-one Traditional Name: 3-(4-acetylpiperazino)-1-[2-chloro-4-(hexylthio)phenyl]propan-1-one Formula: C21H31ClN2O2S MolecularWeight: 411.00104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C=C1)C(=O)CCN2CCN(CC2)C(=O)C)Cl

Isomeric SMILES

CCCCCCSC1=CC(=C(C=C1)C(=O)CCN2CCN(CC2)C(=O)C)Cl

InChI

InChI=1S/C21H31ClN2O2S/c1-3-4-5-6-15-27-18-7-8-19(20(22)16-18)21(26)9-10-23-11-13-24(14-12-23)17(2)25/h7-8,16H,3-6,9-15H2,1-2H3