propyl 5-[[2,5-bis(chloranyl)phenyl]carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[[2,5-bis(chloranyl)phenyl]carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(2,5-dichlorobenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(2,5-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(2,5-dichlorobenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(2,5-dichlorobenzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid propyl ester Formula: C22H23Cl2N3O4S MolecularWeight: 496.40672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)Cl)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)Cl)N3CCOCC3

InChI

InChI=1S/C22H23Cl2N3O4S/c1-2-9-31-21(29)17-13-15(4-6-19(17)27-7-10-30-11-8-27)25-22(32)26-20(28)16-12-14(23)3-5-18(16)24/h3-6,12-13H,2,7-11H2,1H3,(H2,25,26,28,32)