methyl 5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-2-morpholino-benzoic acid methyl ester Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)N3CCOCC3

InChI

InChI=1S/C21H22ClN3O4S2/c1-28-20(27)17-12-15(4-7-18(17)25-8-10-29-11-9-25)23-21(30)24-19(26)13-31-16-5-2-14(22)3-6-16/h2-7,12H,8-11,13H2,1H3,(H2,23,24,26,30)