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

Systemtic Name: 3-iodanyl-4-methoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H14IN3O4S MolecularWeight: 471.26953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14IN3O4S/c1-9-12(4-3-5-13(9)20(22)23)18-16(25)19-15(21)10-6-7-14(24-2)11(17)8-10/h3-8H,1-2H3,(H2,18,19,21,25)