(3-morpholin-4-ylphenyl) 4-[2-(4-chlorophenyl)ethylcarbamothioylsulfanylmethyl]benzoate

Systemtic Name: (3-morpholin-4-ylphenyl) 4-[2-(4-chlorophenyl)ethylcarbamothioylsulfanylmethyl]benzoate Openeye Name: (3-morpholinophenyl) 4-[2-(4-chlorophenyl)ethylcarbamothioylsulfanylmethyl]benzoate CAS Name: 4-[[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]thio]methyl]benzoic acid [3-(4-morpholinyl)phenyl] ester IUPAC Name: (3-morpholin-4-ylphenyl) 4-[2-(4-chlorophenyl)ethylcarbamothioylsulfanylmethyl]benzoate Traditional Name: 4-[[2-(4-chlorophenyl)ethylthiocarbamoylthio]methyl]benzoic acid (3-morpholinophenyl) ester Formula: C27H27ClN2O3S2 MolecularWeight: 527.09788

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)CSC(=S)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)CSC(=S)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H27ClN2O3S2/c28-23-10-6-20(7-11-23)12-13-29-27(34)35-19-21-4-8-22(9-5-21)26(31)33-25-3-1-2-24(18-25)30-14-16-32-17-15-30/h1-11,18H,12-17,19H2,(H,29,34)