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

Systemtic Name: 2-chloranyl-5-iodanyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C21H22ClIN4O2S MolecularWeight: 556.84745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClIN4O2S/c1-2-19(28)27-11-9-26(10-12-27)16-6-4-15(5-7-16)24-21(30)25-20(29)17-13-14(23)3-8-18(17)22/h3-8,13H,2,9-12H2,1H3,(H2,24,25,29,30)