methyl 4-oxidanylidene-4-(1-phenylpropylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-oxidanylidene-4-(1-phenylpropylcarbamothioylamino)butanoate Openeye Name: methyl 4-oxo-4-(1-phenylpropylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-(1-phenylpropylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(1-phenylpropylthiocarbamoylamino)butyric acid methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-3-12(11-7-5-4-6-8-11)16-15(21)17-13(18)9-10-14(19)20-2/h4-8,12H,3,9-10H2,1-2H3,(H2,16,17,18,21)