ethyl 3-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(3,5-dichloro-4-methoxy-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3,5-dichloro-4-methoxy-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C22H23Cl2N3O5S MolecularWeight: 512.40612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

InChI

InChI=1S/C22H23Cl2N3O5S/c1-3-32-21(29)13-4-5-18(27-6-8-31-9-7-27)17(12-13)25-22(33)26-20(28)14-10-15(23)19(30-2)16(24)11-14/h4-5,10-12H,3,6-9H2,1-2H3,(H2,25,26,28,33)