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

Systemtic Name: 3,4,5-triethoxy-N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(4-iodo-2,5-dimethyl-phenyl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(4-iodo-2,5-dimethylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(4-iodo-2,5-dimethyl-phenyl)thiocarbamoyl]benzamide Formula: C22H27IN2O4S MolecularWeight: 542.43025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C(=C2)C)I)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C(=C2)C)I)C

InChI

InChI=1S/C22H27IN2O4S/c1-6-27-18-11-15(12-19(28-7-2)20(18)29-8-3)21(26)25-22(30)24-17-10-13(4)16(23)9-14(17)5/h9-12H,6-8H2,1-5H3,(H2,24,25,26,30)