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

Systemtic Name: N-[(4-iodanyl-3,5-dimethyl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4-iodo-3,5-dimethyl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(4-iodo-3,5-dimethylanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4-iodo-3,5-dimethyl-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C17H16IN3O4S MolecularWeight: 485.29611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1I)C)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1I)C)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16IN3O4S/c1-9-6-12(7-10(2)15(9)18)19-17(26)20-16(22)11-4-5-14(25-3)13(8-11)21(23)24/h4-8H,1-3H3,(H2,19,20,22,26)