3-phenylpropyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[2-furanyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furoylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C25H25N3O5S/c29-22(13-14-23(30)33-16-5-9-18-7-2-1-3-8-18)28-25(34)27-20-11-4-10-19(17-20)26-24(31)21-12-6-15-32-21/h1-4,6-8,10-12,15,17H,5,9,13-14,16H2,(H,26,31)(H2,27,28,29,34)