4-methyl-3-(2-methylpropylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(2-methylpropylcarbamothioylamino)benzoic acid Openeye Name: 3-(isobutylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(2-methylpropylcarbamothioylamino)benzoic acid Traditional Name: 3-(isobutylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-8(2)7-14-13(18)15-11-6-10(12(16)17)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,16,17)(H2,14,15,18)