3-iodanyl-4-methyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C15H12IN3O4S MolecularWeight: 457.24295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)I

InChI

InChI=1S/C15H12IN3O4S/c1-8-2-3-9(6-11(8)16)14(21)18-15(24)17-12-7-10(19(22)23)4-5-13(12)20/h2-7,20H,1H3,(H2,17,18,21,24)