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

Systemtic Name: dipropan-2-yl 5-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(2,5-dichlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(2,5-dichlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2,5-dichlorophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C21H22Cl2N2O4S MolecularWeight: 469.38138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O4S/c1-11(2)28-19(26)13-7-14(20(27)29-12(3)4)9-16(8-13)24-21(30)25-18-10-15(22)5-6-17(18)23/h5-12H,1-4H3,(H2,24,25,30)