4-ethoxy-N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(4-iodo-2,5-dimethyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[(4-iodo-2,5-dimethylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(4-iodo-2,5-dimethyl-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H18IN3O4S MolecularWeight: 499.32269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C(=C2)C)I)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C(=C2)C)I)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18IN3O4S/c1-4-26-16-6-5-12(9-15(16)22(24)25)17(23)21-18(27)20-14-8-10(2)13(19)7-11(14)3/h5-9H,4H2,1-3H3,(H2,20,21,23,27)