N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C21H22Cl2N4O2S2 MolecularWeight: 497.46098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22Cl2N4O2S2/c1-14(28)26-9-11-27(12-10-26)20-17(23)3-2-4-18(20)24-21(30)25-19(29)13-31-16-7-5-15(22)6-8-16/h2-8H,9-13H2,1H3,(H2,24,25,29,30)