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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C23H27ClN4O2S2 MolecularWeight: 491.06908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2S2/c1-2-3-22(30)28-14-12-27(13-15-28)19-8-6-18(7-9-19)25-23(31)26-21(29)16-32-20-10-4-17(24)5-11-20/h4-11H,2-3,12-16H2,1H3,(H2,25,26,29,31)