3-phenylpropyl 5-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[[2-furanyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-(2-furoylamino)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S/c30-23(14-5-15-24(31)34-17-6-10-19-8-2-1-3-9-19)29-26(35)28-21-12-4-11-20(18-21)27-25(32)22-13-7-16-33-22/h1-4,7-9,11-13,16,18H,5-6,10,14-15,17H2,(H,27,32)(H2,28,29,30,35)