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

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C20H22BrIN2O4S MolecularWeight: 593.27315

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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)Br)I

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrIN2O4S/c1-4-26-16-9-12(10-17(27-5-2)18(16)28-6-3)19(25)24-20(29)23-15-8-7-13(21)11-14(15)22/h7-11H,4-6H2,1-3H3,(H2,23,24,25,29)