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

Systemtic Name: dipropan-2-yl 5-(3-methoxypropylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-(3-methoxypropylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-(3-methoxypropylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(3-methoxypropylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-12(2)25-17(22)14-9-15(18(23)26-13(3)4)11-16(10-14)21-19(27)20-7-6-8-24-5/h9-13H,6-8H2,1-5H3,(H2,20,21,27)