4-[3-[2,5-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-oxidanylidene-propyl]piperazin-2-one

Systemtic Name: 4-[3-[2,5-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-oxidanylidene-propyl]piperazin-2-one Openeye Name: 4-[3-(2,5-dichloro-4-hexylsulfanyl-phenyl)-3-oxo-propyl]piperazin-2-one CAS Name: 4-[3-[2,5-dichloro-4-(hexylthio)phenyl]-3-oxopropyl]-2-piperazinone IUPAC Name: 4-[3-(2,5-dichloro-4-hexylsulfanylphenyl)-3-oxopropyl]piperazin-2-one Traditional Name: 4-[3-[2,5-dichloro-4-(hexylthio)phenyl]-3-keto-propyl]piperazin-2-one Formula: C19H26Cl2N2O2S MolecularWeight: 417.39294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C(C(=C1)Cl)C(=O)CCN2CCNC(=O)C2)Cl

Isomeric SMILES

CCCCCCSC1=C(C=C(C(=C1)Cl)C(=O)CCN2CCNC(=O)C2)Cl

InChI

InChI=1S/C19H26Cl2N2O2S/c1-2-3-4-5-10-26-18-12-15(20)14(11-16(18)21)17(24)6-8-23-9-7-22-19(25)13-23/h11-12H,2-10,13H2,1H3,(H,22,25)