methyl 4-morpholin-4-yl-3-(2-phenoxyethanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-(2-phenoxyethanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-morpholino-3-[(2-phenoxyacetyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(2-phenoxyacetyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(2-phenoxyacetyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5S/c1-27-20(26)15-7-8-18(24-9-11-28-12-10-24)17(13-15)22-21(30)23-19(25)14-29-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H2,22,23,25,30)