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

Systemtic Name: methyl 4-morpholin-4-yl-3-(2-phenylethanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-morpholino-3-[(2-phenylacetyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(2-phenylacetyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-27-20(26)16-7-8-18(24-9-11-28-12-10-24)17(14-16)22-21(29)23-19(25)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H2,22,23,25,29)