5-iodanyl-2-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-iodanyl-2-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-iodo-2-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-iodo-2-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-iodo-2-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H17IN2O4S MolecularWeight: 484.30805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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