dimethyl 5-(propan-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(propan-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(isopropylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(propan-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(isopropylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)NC(=S)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C14H18N2O4S/c1-8(2)15-14(21)16-11-6-9(12(17)19-3)5-10(7-11)13(18)20-4/h5-8H,1-4H3,(H2,15,16,21)