3-(butanoylcarbamothioylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(butanoylcarbamothioylamino)-4-methyl-benzoic acid Openeye Name: 3-(butanoylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(butanoylcarbamothioylamino)-4-methylbenzoic acid Traditional Name: 3-(butyrylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-3-4-11(16)15-13(19)14-10-7-9(12(17)18)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H,17,18)(H2,14,15,16,19)