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

Systemtic Name: 2-chloranyl-N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C20H21Cl2IN4OS MolecularWeight: 563.28241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C20H21Cl2IN4OS/c1-2-26-8-10-27(11-9-26)18-16(22)4-3-5-17(18)24-20(29)25-19(28)14-12-13(23)6-7-15(14)21/h3-7,12H,2,8-11H2,1H3,(H2,24,25,28,29)