ethyl 4-[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(p-toluoylamino)phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H26N2O4S/c1-4-32-26(31)20-12-14-21(15-13-20)27-24(29)18(3)33-23-7-5-6-22(16-23)28-25(30)19-10-8-17(2)9-11-19/h5-16,18H,4H2,1-3H3,(H,27,29)(H,28,30)