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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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