4-chloranyl-3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(3-isobutoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C19H19ClN2O4S/c1-11(2)10-26-14-5-3-4-12(8-14)17(23)22-19(27)21-16-9-13(18(24)25)6-7-15(16)20/h3-9,11H,10H2,1-2H3,(H,24,25)(H2,21,22,23,27)