dipropan-2-yl 5-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-(oxolan-2-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(tetrahydrofurfurylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-12(2)26-18(23)14-8-15(19(24)27-13(3)4)10-16(9-14)22-20(28)21-11-17-6-5-7-25-17/h8-10,12-13,17H,5-7,11H2,1-4H3,(H2,21,22,28)