dipropan-2-yl 5-[(2-chlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(2-chlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(2-chlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-chloroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(2-chlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chlorophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2Cl)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2Cl)C(=O)OC(C)C

InChI

InChI=1S/C21H23ClN2O4S/c1-12(2)27-19(25)14-9-15(20(26)28-13(3)4)11-16(10-14)23-21(29)24-18-8-6-5-7-17(18)22/h5-13H,1-4H3,(H2,23,24,29)