2-[3-chloranyl-4-(2-chlorophenyl)sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)but-3-en-1-one

Systemtic Name: 2-[3-chloranyl-4-(2-chlorophenyl)sulfanyl-phenyl]-1-(4-ethanoylpiperazin-1-yl)but-3-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-(2-chlorophenyl)sulfanyl-phenyl]but-3-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-chloro-4-[(2-chlorophenyl)thio]phenyl]-3-buten-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[3-chloro-4-(2-chlorophenyl)sulfanylphenyl]but-3-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[3-chloro-4-[(2-chlorophenyl)thio]phenyl]but-3-en-1-one Formula: C22H22Cl2N2O2S MolecularWeight: 449.39328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(C=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(C=C)C2=CC(=C(C=C2)SC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O2S/c1-3-17(22(28)26-12-10-25(11-13-26)15(2)27)16-8-9-21(19(24)14-16)29-20-7-5-4-6-18(20)23/h3-9,14,17H,1,10-13H2,2H3