ethyl 4-oxidanylidene-4-(phenylcarbamothioylamino)butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-(phenylcarbamothioylamino)butanoate Openeye Name: ethyl 4-oxo-4-(phenylcarbamothioylamino)butanoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-(phenylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(phenylthiocarbamoylamino)butyric acid ethyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C13H16N2O3S/c1-2-18-12(17)9-8-11(16)15-13(19)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,15,16,19)