2-chloranyl-N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodanyl-benzamide

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C21H21Cl2IN4O2S MolecularWeight: 591.29251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

InChI

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