3-(furan-2-ylmethylcarbamothioylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(furan-2-ylmethylcarbamothioylamino)-4-methyl-benzoic acid Openeye Name: 3-(2-furylmethylcarbamothioylamino)-4-methyl-benzoic acid CAS Name: 3-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-(furan-2-ylmethylcarbamothioylamino)-4-methylbenzoic acid Traditional Name: 3-(2-furfurylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCC2=CC=CO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C14H14N2O3S/c1-9-4-5-10(13(17)18)7-12(9)16-14(20)15-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H,17,18)(H2,15,16,20)