3-[(4-butoxyphenyl)carbonylcarbamothioylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

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