methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[[(4-chlorophenyl)thio]methyl]benzoyl]amino]benzoic acid methyl ester Formula: C22H18ClNO3S MolecularWeight: 411.90122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClNO3S/c1-27-22(26)17-3-2-4-19(13-17)24-21(25)16-7-5-15(6-8-16)14-28-20-11-9-18(23)10-12-20/h2-13H,14H2,1H3,(H,24,25)