2-iodanyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-iodanyl-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C25H23IN4O2S MolecularWeight: 570.44519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3I)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3I)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23IN4O2S/c26-20-11-5-4-10-19(20)23(31)28-25(33)27-21-12-6-7-13-22(21)29-14-16-30(17-15-29)24(32)18-8-2-1-3-9-18/h1-13H,14-17H2,(H2,27,28,31,33)