2,5-bis(chloranyl)-N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2,5-dichloro-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,5-dichlorobenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2,5-dichlorobenzamide Traditional Name: N-[[2-(4-acetylpiperazino)phenyl]thiocarbamoyl]-2,5-dichloro-benzamide Formula: C20H20Cl2N4O2S MolecularWeight: 451.3694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

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