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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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