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

Systemtic Name: propyl 5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-2-morpholino-benzoic acid propyl ester Formula: C23H26ClN3O4S2 MolecularWeight: 508.05324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O4S2/c1-2-11-31-22(29)19-14-17(5-8-20(19)27-9-12-30-13-10-27)25-23(32)26-21(28)15-33-18-6-3-16(24)4-7-18/h3-8,14H,2,9-13,15H2,1H3,(H2,25,26,28,32)