2-chloranyl-N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2-chloro-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-chlorobenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2-chloro-benzamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20Cl2N4O2S/c1-13(27)25-9-11-26(12-10-25)18-16(22)7-4-8-17(18)23-20(29)24-19(28)14-5-2-3-6-15(14)21/h2-8H,9-12H2,1H3,(H2,23,24,28,29)