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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(2-iodobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-iodobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(2-iodobenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H23BrIN3O3S MolecularWeight: 604.29909

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I)Br

InChI

InChI=1S/C21H23BrIN3O3S/c1-2-3-4-7-12-29-18-11-10-14(13-16(18)22)19(27)24-21(30)26-25-20(28)15-8-5-6-9-17(15)23/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,25,28)(H2,24,26,27,30)