ethyl 3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O4S2/c1-2-30-21(28)15-3-8-19(26-9-11-29-12-10-26)18(13-15)24-22(31)25-20(27)14-32-17-6-4-16(23)5-7-17/h3-8,13H,2,9-12,14H2,1H3,(H2,24,25,27,31)