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

Systemtic Name: phenethyl 4-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[3-(2-furylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furfurylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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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)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

InChI

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