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

Systemtic Name: methyl 5-[[2,5-bis(chloranyl)phenyl]carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(2,5-dichlorobenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(2,5-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(2,5-dichlorobenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(2,5-dichlorobenzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid methyl ester Formula: C20H19Cl2N3O4S MolecularWeight: 468.35356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N3O4S/c1-28-19(27)15-11-13(3-5-17(15)25-6-8-29-9-7-25)23-20(30)24-18(26)14-10-12(21)2-4-16(14)22/h2-5,10-11H,6-9H2,1H3,(H2,23,24,26,30)