butyl 4-[[2-(4-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-(4-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(4-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[(4-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-acetamidophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C27H28N2O4S/c1-3-4-18-33-27(32)21-10-12-23(13-11-21)29-26(31)25(20-8-6-5-7-9-20)34-24-16-14-22(15-17-24)28-19(2)30/h5-17,25H,3-4,18H2,1-2H3,(H,28,30)(H,29,31)