dipropan-2-yl 5-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(3-chloro-4-fluorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C21H22ClFN2O4S MolecularWeight: 452.926783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN2O4S/c1-11(2)28-19(26)13-7-14(20(27)29-12(3)4)9-16(8-13)25-21(30)24-15-5-6-18(23)17(22)10-15/h5-12H,1-4H3,(H2,24,25,30)