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

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-2-(phenylthio)acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-17(2)22(27)25-14-12-24(13-15-25)19-10-8-18(9-11-19)23-21(26)16-28-20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,23,26)