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

Systemtic Name: 2-chloranyl-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C20H20ClIN4O2S MolecularWeight: 542.82087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClIN4O2S/c1-13(27)25-8-10-26(11-9-25)16-5-3-15(4-6-16)23-20(29)24-19(28)17-12-14(22)2-7-18(17)21/h2-7,12H,8-11H2,1H3,(H2,23,24,28,29)