1-[2,6-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-(4-ethanoylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-[2,6-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-(4-ethanoylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-acetylpiperazin-1-yl)-1-(2,6-dichloro-4-hexylsulfanyl-phenyl)propan-1-one CAS Name: 3-(4-acetyl-1-piperazinyl)-1-[2,6-dichloro-4-(hexylthio)phenyl]-1-propanone IUPAC Name: 3-(4-acetylpiperazin-1-yl)-1-(2,6-dichloro-4-hexylsulfanylphenyl)propan-1-one Traditional Name: 3-(4-acetylpiperazino)-1-[2,6-dichloro-4-(hexylthio)phenyl]propan-1-one Formula: C21H30Cl2N2O2S MolecularWeight: 445.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30Cl2N2O2S/c1-3-4-5-6-13-28-17-14-18(22)21(19(23)15-17)20(27)7-8-24-9-11-25(12-10-24)16(2)26/h14-15H,3-13H2,1-2H3