4-chloranyl-3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(3-ethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(3-ethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(3-ethoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C17H15ClN2O4S/c1-2-24-12-5-3-4-10(8-12)15(21)20-17(25)19-14-9-11(16(22)23)6-7-13(14)18/h3-9H,2H2,1H3,(H,22,23)(H2,19,20,21,25)