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

Systemtic Name: 4-methyl-3-(3-methylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-(3-methylbutanoylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(3-methylbutanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(isovalerylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC(C)C

InChI

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