4-methyl-3-(propan-2-ylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(propan-2-ylcarbamothioylamino)benzoic acid Openeye Name: 3-(isopropylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(propan-2-ylcarbamothioylamino)benzoic acid Traditional Name: 3-(isopropylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S/c1-7(2)13-12(17)14-10-6-9(11(15)16)5-4-8(10)3/h4-7H,1-3H3,(H,15,16)(H2,13,14,17)