N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-iodo-benzamide Formula: C21H24IN3O3S MolecularWeight: 525.40303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=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)24-25-21(29)23-20(27)17-8-5-6-9-18(17)22/h5-6,8-13H,2-4,7,14H2,1H3,(H,24,26)(H2,23,25,27,29)