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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2S/c1-2-3-22(28)26-14-12-25(13-15-26)19-8-6-18(7-9-19)24-21(27)16-29-20-10-4-17(23)5-11-20/h4-11H,2-3,12-16H2,1H3,(H,24,27)