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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-iodanyl-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-iodo-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2-iodobenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-iodo-benzamide Formula: C18H16ClIN4O3S MolecularWeight: 530.76711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClIN4O3S/c19-14-11-12(24(26)27)5-6-16(14)22-7-9-23(10-8-22)18(28)21-17(25)13-3-1-2-4-15(13)20/h1-6,11H,7-10H2,(H,21,25,28)