ethyl 5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]-2-morpholino-benzoic acid ethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-3-30-22(28)19-14-17(7-8-20(19)26-9-11-29-12-10-26)24-23(32)25-21(27)15-31-18-6-4-5-16(2)13-18/h4-8,13-14H,3,9-12,15H2,1-2H3,(H2,24,25,27,32)