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

Systemtic Name: propyl 4-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[3-(2-furylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furfurylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CO2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C20H23N3O5S/c1-2-10-28-18(25)9-8-17(24)23-20(29)22-15-6-3-5-14(12-15)19(26)21-13-16-7-4-11-27-16/h3-7,11-12H,2,8-10,13H2,1H3,(H,21,26)(H2,22,23,24,29)