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

Systemtic Name: 3,4,5-triethoxy-N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(4-iodo-2-methyl-phenyl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(4-iodo-2-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(4-iodo-2-methyl-phenyl)thiocarbamoyl]benzamide Formula: C21H25IN2O4S MolecularWeight: 528.40367

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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)I)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25IN2O4S/c1-5-26-17-11-14(12-18(27-6-2)19(17)28-7-3)20(25)24-21(29)23-16-9-8-15(22)10-13(16)4/h8-12H,5-7H2,1-4H3,(H2,23,24,25,29)