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

Systemtic Name: ethyl 5-[[2,5-bis(chloranyl)phenyl]carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[(2,5-dichlorobenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(2,5-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[(2,5-dichlorobenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(2,5-dichlorobenzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid ethyl ester Formula: C21H21Cl2N3O4S MolecularWeight: 482.38014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O4S/c1-2-30-20(28)16-12-14(4-6-18(16)26-7-9-29-10-8-26)24-21(31)25-19(27)15-11-13(22)3-5-17(15)23/h3-6,11-12H,2,7-10H2,1H3,(H2,24,25,27,31)