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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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