propyl 5-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[2-(4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[2-(4-methylphenoxy)acetyl]thiocarbamoylamino]-2-morpholino-benzoic acid propyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)C)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)C)N3CCOCC3

InChI

InChI=1S/C24H29N3O5S/c1-3-12-31-23(29)20-15-18(6-9-21(20)27-10-13-30-14-11-27)25-24(33)26-22(28)16-32-19-7-4-17(2)5-8-19/h4-9,15H,3,10-14,16H2,1-2H3,(H2,25,26,28,33)