methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-4-20(5-2)16(23)12-6-8-13(9-7-12)18-17(25)19-14(21)10-11-15(22)24-3/h6-9H,4-5,10-11H2,1-3H3,(H2,18,19,21,25)