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

Systemtic Name: 2-methyl-3-(3-methylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 2-methyl-3-(3-methylbutanoylcarbamothioylamino)benzoic acid CAS Name: 2-methyl-3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-(3-methylbutanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(isovalerylthiocarbamoylamino)-2-methyl-benzoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CC(C)C)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c1-8(2)7-12(17)16-14(20)15-11-6-4-5-10(9(11)3)13(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)(H2,15,16,17,20)