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

Systemtic Name: dipropan-2-yl 5-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(5-chloro-2-methoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-12(2)29-20(26)14-8-15(21(27)30-13(3)4)10-17(9-14)24-22(31)25-18-11-16(23)6-7-19(18)28-5/h6-13H,1-5H3,(H2,24,25,31)