5-iodanyl-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 5-iodanyl-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 5-iodo-2-[(4-propoxybenzoyl)carbamothioylamino]benzoate CAS Name: 5-iodo-2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 5-iodo-2-[(4-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 5-iodo-2-[(4-propoxybenzoyl)thiocarbamoylamino]benzoate Formula: C18H16IN2O4S- MolecularWeight: 483.30011

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)[O-]

InChI

InChI=1S/C18H17IN2O4S/c1-2-9-25-13-6-3-11(4-7-13)16(22)21-18(26)20-15-8-5-12(19)10-14(15)17(23)24/h3-8,10H,2,9H2,1H3,(H,23,24)(H2,20,21,22,26)/p-1