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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-chloranylphenoxy)ethanamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-chlorophenoxy)acetamide CAS Name: 2-(2-chlorophenoxy)-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(2-chlorophenoxy)acetamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-(2-chlorophenoxy)acetamide Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C23H27ClN4O3S/c1-2-5-22(30)28-14-12-27(13-15-28)18-10-8-17(9-11-18)25-23(32)26-21(29)16-31-20-7-4-3-6-19(20)24/h3-4,6-11H,2,5,12-16H2,1H3,(H2,25,26,29,32)