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

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C17H16BrIN2O4S MolecularWeight: 551.19341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)I

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)I

InChI

InChI=1S/C17H16BrIN2O4S/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(22)21-17(26)20-12-5-4-10(18)8-11(12)19/h4-8H,1-3H3,(H2,20,21,22,26)