N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4O2S/c1-2-21(29)27-12-10-26(11-13-27)19-9-8-17(23)15-18(19)24-22(30)25-20(28)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3,(H2,24,25,28,30)