3-bromanyl-N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[(2-iodobenzoyl)amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[(2-iodobenzoyl)amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[[(2-iodobenzoyl)amino]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C18H17BrIN3O4S MolecularWeight: 578.21875

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I)Br

InChI

InChI=1S/C18H17BrIN3O4S/c1-26-8-9-27-15-7-6-11(10-13(15)19)16(24)21-18(28)23-22-17(25)12-4-2-3-5-14(12)20/h2-7,10H,8-9H2,1H3,(H,22,25)(H2,21,23,24,28)