3-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-sec-butoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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