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

Systemtic Name: 3-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[(4-sec-butoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 4-chloro-3-[(4-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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