ethyl 4-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(2-naphthoylamino)phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C30H28N2O4S MolecularWeight: 512.61932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H28N2O4S/c1-3-27(29(34)31-24-16-14-21(15-17-24)30(35)36-4-2)37-26-11-7-10-25(19-26)32-28(33)23-13-12-20-8-5-6-9-22(20)18-23/h5-19,27H,3-4H2,1-2H3,(H,31,34)(H,32,33)