2-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(3-sec-butoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(3-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-3-12(2)25-14-8-6-7-13(11-14)17(22)21-19(26)20-16-10-5-4-9-15(16)18(23)24/h4-12H,3H2,1-2H3,(H,23,24)(H2,20,21,22,26)