N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[5-chloro-2-(4-isobutyrylpiperazino)phenyl]-2-(phenylthio)acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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