2-iodanyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2-iodanyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-iodo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 2-iodo-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2-iodo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C18H17IN4O3S MolecularWeight: 496.32205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C18H17IN4O3S/c19-16-4-2-1-3-15(16)17(24)20-18(27)22-11-9-21(10-12-22)13-5-7-14(8-6-13)23(25)26/h1-8H,9-12H2,(H,20,24,27)