dipropan-2-yl 5-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(5-chloro-2-methyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(5-chloro-2-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C22H25ClN2O4S/c1-12(2)28-20(26)15-8-16(21(27)29-13(3)4)10-18(9-15)24-22(30)25-19-11-17(23)7-6-14(19)5/h6-13H,1-5H3,(H2,24,25,30)