ethyl 5-[(2-chlorophenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[(2-chlorophenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[(2-chlorobenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[(2-chlorobenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(2-chlorobenzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid ethyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl)N3CCOCC3

InChI

InChI=1S/C21H22ClN3O4S/c1-2-29-20(27)16-13-14(7-8-18(16)25-9-11-28-12-10-25)23-21(30)24-19(26)15-5-3-4-6-17(15)22/h3-8,13H,2,9-12H2,1H3,(H2,23,24,26,30)