diethyl 5-(2-methylpropylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-(2-methylpropylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(isobutylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2-methylpropylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(isobutylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NCC(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NCC(C)C)C(=O)OCC

InChI

InChI=1S/C17H24N2O4S/c1-5-22-15(20)12-7-13(16(21)23-6-2)9-14(8-12)19-17(24)18-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3,(H2,18,19,24)