ethyl 4-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(diethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C18H25N3O4S/c1-4-21(5-2)17(24)13-8-7-9-14(12-13)19-18(26)20-15(22)10-11-16(23)25-6-3/h7-9,12H,4-6,10-11H2,1-3H3,(H2,19,20,22,26)