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

Systemtic Name: 2-chloranyl-N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C21H21Cl2IN4O2S MolecularWeight: 591.29251

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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)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2IN4O2S/c1-2-19(29)28-9-7-27(8-10-28)18-6-3-13(22)11-17(18)25-21(31)26-20(30)15-12-14(24)4-5-16(15)23/h3-6,11-12H,2,7-10H2,1H3,(H2,25,26,30,31)