5-iodanyl-2-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-iodanyl-2-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-iodo-2-[(4-isopropoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-iodo-2-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-iodo-2-[(4-isopropoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H17IN2O4S MolecularWeight: 484.30805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

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