2-chloranyl-6-[2-chloranyl-4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-benzaldehyde

Systemtic Name: 2-chloranyl-6-[2-chloranyl-4-[(E)-3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]phenyl]sulfanyl-benzaldehyde Openeye Name: 2-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxo-prop-1-enyl]-2-chloro-phenyl]sulfanyl-6-chloro-benzaldehyde CAS Name: 2-[[4-[(E)-3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-enyl]-2-chlorophenyl]thio]-6-chlorobenzaldehyde IUPAC Name: 2-[4-[(E)-3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-chlorophenyl]sulfanyl-6-chlorobenzaldehyde Traditional Name: 2-[[4-[(E)-3-(4-acetylpiperazino)-3-keto-prop-1-enyl]-2-chloro-phenyl]thio]-6-chloro-benzaldehyde Formula: C22H20Cl2N2O3S MolecularWeight: 463.3768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=C(C(=CC=C3)Cl)C=O)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=C(C(=CC=C3)Cl)C=O)Cl

InChI

InChI=1S/C22H20Cl2N2O3S/c1-15(28)25-9-11-26(12-10-25)22(29)8-6-16-5-7-21(19(24)13-16)30-20-4-2-3-18(23)17(20)14-27/h2-8,13-14H,9-12H2,1H3/b8-6+