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

Systemtic Name: butyl 4-[[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(2-naphthoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C36H32N2O4S MolecularWeight: 588.71528

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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)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C36H32N2O4S/c1-2-3-23-42-36(41)27-15-17-30(18-16-27)38-35(40)33(26-10-5-4-6-11-26)43-32-21-19-31(20-22-32)37-34(39)29-14-13-25-9-7-8-12-28(25)24-29/h4-22,24,33H,2-3,23H2,1H3,(H,37,39)(H,38,40)