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

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

Systemtic Name:4-hexoxy-N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]benzamide
Openeye Name:4-hexoxy-N-[[(2-iodobenzoyl)amino]carbamothioyl]benzamide
CAS Name:4-hexoxy-N-[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide
IUPAC Name:4-hexoxy-N-[[(2-iodobenzoyl)amino]carbamothioyl]benzamide
Traditional Name:4-hexoxy-N-[[(2-iodobenzoyl)amino]thiocarbamoyl]benzamide
Formula: C21H24IN3O3S
MolecularWeight: 525.40303
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H24IN3O3S/c1-2-3-4-7-14-28-16-12-10-15(11-13-16)19(26)23-21(29)25-24-20(27)17-8-5-6-9-18(17)22/h5-6,8-13H,2-4,7,14H2,1H3,(H,24,27)(H2,23,25,26,29)


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