butyl 4-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O4S/c1-3-4-18-34-28(33)22-10-12-24(13-11-22)30-27(32)20(2)35-25-16-14-23(15-17-25)29-26(31)19-21-8-6-5-7-9-21/h5-17,20H,3-4,18-19H2,1-2H3,(H,29,31)(H,30,32)