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

Systemtic Name: methyl 3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-28-20(27)15-4-7-18(25-8-10-29-11-9-25)17(13-15)23-21(30)24-19(26)12-14-2-5-16(22)6-3-14/h2-7,13H,8-12H2,1H3,(H2,23,24,26,30)