butyl 4-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(2-naphthoylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C31H30N2O4S MolecularWeight: 526.6459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H30N2O4S/c1-3-4-18-37-31(36)23-14-16-26(17-15-23)32-29(34)21(2)38-28-11-7-10-27(20-28)33-30(35)25-13-12-22-8-5-6-9-24(22)19-25/h5-17,19-21H,3-4,18H2,1-2H3,(H,32,34)(H,33,35)