methyl 4-methyl-3-(oxolan-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(oxolan-2-ylmethylcarbamothioylamino)benzoate Openeye Name: methyl 4-methyl-3-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(oxolan-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-methyl-3-(tetrahydrofurfurylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-10-5-6-11(14(18)19-2)8-13(10)17-15(21)16-9-12-4-3-7-20-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,16,17,21)