butyl 4-[[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(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=CC(=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=CC(=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

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