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

Systemtic Name: 3-iodanyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-iodo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-iodo-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-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=C3)I

Isomeric SMILES

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

InChI

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