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

Systemtic Name: phenethyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furoylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5S/c28-21(11-12-22(29)32-15-13-17-6-2-1-3-7-17)27-24(33)26-19-9-4-8-18(16-19)25-23(30)20-10-5-14-31-20/h1-10,14,16H,11-13,15H2,(H,25,30)(H2,26,27,28,33)