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

Systemtic Name: 2-chloranyl-N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C23H20ClIN4O3S MolecularWeight: 594.85237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H20ClIN4O3S/c24-19-8-3-15(25)14-18(19)21(30)27-23(33)26-16-4-6-17(7-5-16)28-9-11-29(12-10-28)22(31)20-2-1-13-32-20/h1-8,13-14H,9-12H2,(H2,26,27,30,33)