dimethyl 5-(2-methylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-methylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-methylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-methylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(isobutyrylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S/c1-8(2)12(18)17-15(23)16-11-6-9(13(19)21-3)5-10(7-11)14(20)22-4/h5-8H,1-4H3,(H2,16,17,18,23)