methyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(tetrahydrofurfurylthiocarbamoylamino)benzoic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2CCCO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2CCCO2

InChI

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