3-(butanoylcarbamothioylamino)-2-methyl-benzoic acid

Systemtic Name: 3-(butanoylcarbamothioylamino)-2-methyl-benzoic acid Openeye Name: 3-(butanoylcarbamothioylamino)-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(butanoylcarbamothioylamino)-2-methylbenzoic acid Traditional Name: 3-(butyrylthiocarbamoylamino)-2-methyl-benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC(=C1C)C(=O)O

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC(=C1C)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-3-5-11(16)15-13(19)14-10-7-4-6-9(8(10)2)12(17)18/h4,6-7H,3,5H2,1-2H3,(H,17,18)(H2,14,15,16,19)