2-chloranyl-5-iodanyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-chloro-5-iodo-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzamide Formula: C19H15ClF3IN4O3S MolecularWeight: 598.76508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C19H15ClF3IN4O3S/c20-14-3-2-12(24)10-13(14)17(29)25-18(32)27-7-5-26(6-8-27)15-4-1-11(19(21,22)23)9-16(15)28(30)31/h1-4,9-10H,5-8H2,(H,25,29,32)