ethyl 4-[[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[3-(p-toluoylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C31H28N2O4S MolecularWeight: 524.63002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H28N2O4S/c1-3-37-31(36)24-16-18-25(19-17-24)32-30(35)28(22-8-5-4-6-9-22)38-27-11-7-10-26(20-27)33-29(34)23-14-12-21(2)13-15-23/h4-20,28H,3H2,1-2H3,(H,32,35)(H,33,34)