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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-3-30-22(28)17-7-8-20(26-9-11-29-12-10-26)19(14-17)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)