4-chloranyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-methylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 4-chloro-3-(2-methylpropanoylcarbamothioylamino)benzoic acid CAS Name: 4-chloro-3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(2-methylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 4-chloro-3-(isobutyrylthiocarbamoylamino)benzoic acid Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C12H13ClN2O3S/c1-6(2)10(16)15-12(19)14-9-5-7(11(17)18)3-4-8(9)13/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19)