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

Systemtic Name: methyl 3-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C22H25N3O5S/c1-15-5-3-4-6-19(15)30-14-20(26)24-22(31)23-17-13-16(21(27)28-2)7-8-18(17)25-9-11-29-12-10-25/h3-8,13H,9-12,14H2,1-2H3,(H2,23,24,26,31)