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

Systemtic Name: 3-iodanyl-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-iodo-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-iodo-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-iodo-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C19H19IN4O4S MolecularWeight: 526.34803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=CC=C3)I)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=CC=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C19H19IN4O4S/c1-28-15-5-6-16(17(12-15)24(26)27)22-7-9-23(10-8-22)19(29)21-18(25)13-3-2-4-14(20)11-13/h2-6,11-12H,7-10H2,1H3,(H,21,25,29)