propyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name: propyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate Openeye Name: propyl 4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-(oxolan-2-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(tetrahydrofurfurylthiocarbamoylamino)benzoic acid propyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-2-9-21-15(19)12-5-7-13(8-6-12)18-16(22)17-11-14-4-3-10-20-14/h5-8,14H,2-4,9-11H2,1H3,(H2,17,18,22)