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

Systemtic Name: 4-methyl-3-(oxolan-2-ylmethylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(oxolan-2-ylmethylcarbamothioylamino)benzoic acid Traditional Name: 4-methyl-3-(tetrahydrofurfurylthiocarbamoylamino)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)NCC2CCCO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NCC2CCCO2

InChI

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