propyl 4-[3-[3-oxidanylidene-3-[(4-propoxycarbonylphenyl)amino]propyl]sulfanylpropanoylamino]benzoate

Systemtic Name: propyl 4-[3-[3-oxidanylidene-3-[(4-propoxycarbonylphenyl)amino]propyl]sulfanylpropanoylamino]benzoate Openeye Name: propyl 4-[3-[3-oxo-3-(4-propoxycarbonylanilino)propyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[[3-oxo-3-[4-[oxo(propoxy)methyl]anilino]propyl]thio]propyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[3-[3-oxo-3-(4-propoxycarbonylanilino)propyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[[3-keto-3-(4-propoxycarbonylanilino)propyl]thio]propanoylamino]benzoic acid propyl ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)OCCC

InChI

InChI=1S/C26H32N2O6S/c1-3-15-33-25(31)19-5-9-21(10-6-19)27-23(29)13-17-35-18-14-24(30)28-22-11-7-20(8-12-22)26(32)34-16-4-2/h5-12H,3-4,13-18H2,1-2H3,(H,27,29)(H,28,30)