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

Systemtic Name: 3-iodanyl-4-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H14IN3O3S MolecularWeight: 455.27013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14IN3O3S/c1-9-3-5-11(7-13(9)17)15(21)19-16(24)18-14-8-12(20(22)23)6-4-10(14)2/h3-8H,1-2H3,(H2,18,19,21,24)