4-(3-methylbutanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(3-methylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 4-(3-methylbutanoylcarbamothioylamino)benzoic acid CAS Name: 4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(3-methylbutanoylcarbamothioylamino)benzoic acid Traditional Name: 4-(isovalerylthiocarbamoylamino)benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-8(2)7-11(16)15-13(19)14-10-5-3-9(4-6-10)12(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)(H2,14,15,16,19)