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

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C22H24Cl2N4O2S MolecularWeight: 479.42256

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N4O2S/c1-2-21(30)28-11-9-27(10-12-28)19-8-7-17(24)14-18(19)25-22(31)26-20(29)13-15-3-5-16(23)6-4-15/h3-8,14H,2,9-13H2,1H3,(H2,25,26,29,31)