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

Systemtic Name: N-[(4-iodanyl-3,5-dimethyl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(4-iodo-3,5-dimethyl-phenyl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(4-iodo-3,5-dimethylanilino)-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(4-iodo-3,5-dimethyl-phenyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C17H16IN3O3S MolecularWeight: 469.29671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16IN3O3S/c1-9-4-5-12(8-14(9)21(23)24)16(22)20-17(25)19-13-6-10(2)15(18)11(3)7-13/h4-8H,1-3H3,(H2,19,20,22,25)