2-hexoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-hexoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26IN3O4S MolecularWeight: 555.42901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C22H26IN3O4S/c1-3-4-5-8-13-30-18-10-7-6-9-16(18)21(28)24-22(31)26-25-20(27)15-11-12-19(29-2)17(23)14-15/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,25,27)(H2,24,26,28,31)