methyl (2R)-4-(phenethylcarbamothioyl)thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(phenethylcarbamothioyl)thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(phenethylcarbamothioyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(phenethylamino)-sulfanylidenemethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(phenethylcarbamothioyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(phenethylthiocarbamoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C15H20N2O2S2 MolecularWeight: 324.4615

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O2S2/c1-19-14(18)13-11-17(9-10-21-13)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,20)/t13-/m1/s1