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

Systemtic Name: N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C23H20ClIN4O2S2 MolecularWeight: 610.91797

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3I)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3I)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H20ClIN4O2S2/c24-17-14-15(26-23(32)27-21(30)16-4-1-2-5-18(16)25)7-8-19(17)28-9-11-29(12-10-28)22(31)20-6-3-13-33-20/h1-8,13-14H,9-12H2,(H2,26,27,30,32)