2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-(4-isobutyrylpiperazino)phenyl]acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-16(2)22(28)26-13-11-25(12-14-26)19-7-5-18(6-8-19)24-21(27)15-29-20-9-3-17(23)4-10-20/h3-10,16H,11-15H2,1-2H3,(H,24,27)