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

Systemtic Name: diethyl 5-(propan-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(isopropylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(propan-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(isopropylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-5-21-14(19)11-7-12(15(20)22-6-2)9-13(8-11)18-16(23)17-10(3)4/h7-10H,5-6H2,1-4H3,(H2,17,18,23)