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

Systemtic Name: methyl 4-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-25-16(23)9-8-15(22)21-18(27)20-13-6-4-12(5-7-13)17(24)19-11-14-3-2-10-26-14/h2-7,10H,8-9,11H2,1H3,(H,19,24)(H2,20,21,22,27)