methyl 3-(2,2-diphenylethanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(2,2-diphenylethanoylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(2,2-diphenylacetyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 4-(4-morpholinyl)-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,2-diphenylacetyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(2,2-diphenylacetyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-33-26(32)21-12-13-23(30-14-16-34-17-15-30)22(18-21)28-27(35)29-25(31)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3,(H2,28,29,31,35)