dimethyl 2-(2-methylpropylcarbamothioylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-methylpropylcarbamothioylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-(isobutylcarbamothioylamino)benzene-1,4-dicarboxylate CAS Name: 2-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2-methylpropylcarbamothioylamino)benzene-1,4-dicarboxylate Traditional Name: 2-(isobutylthiocarbamoylamino)benzene-1,4-dicarboxylic acid dimethyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-9(2)8-16-15(22)17-12-7-10(13(18)20-3)5-6-11(12)14(19)21-4/h5-7,9H,8H2,1-4H3,(H2,16,17,22)