butyl 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4S/c1-2-3-16-33-27(32)21-12-14-22(15-13-21)28-26(31)19-34-24-11-7-10-23(18-24)29-25(30)17-20-8-5-4-6-9-20/h4-15,18H,2-3,16-17,19H2,1H3,(H,28,31)(H,29,30)