5-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[(3-sec-butoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-[[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 2-chloro-5-[(3-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S/c1-3-11(2)26-14-6-4-5-12(9-14)17(23)22-19(27)21-13-7-8-16(20)15(10-13)18(24)25/h4-11H,3H2,1-2H3,(H,24,25)(H2,21,22,23,27)