2-(ethanethioylamino)-3-[4-(3-ethanoyl-2,4-dimethyl-5-oxidanylidene-imidazolidin-1-yl)phenyl]propanoic acid

Systemtic Name: 2-(ethanethioylamino)-3-[4-(3-ethanoyl-2,4-dimethyl-5-oxidanylidene-imidazolidin-1-yl)phenyl]propanoic acid Openeye Name: 3-[4-(3-acetyl-2,4-dimethyl-5-oxo-imidazolidin-1-yl)phenyl]-2-(ethanethioylamino)propanoic acid CAS Name: 3-[4-(3-acetyl-2,4-dimethyl-5-oxo-1-imidazolidinyl)phenyl]-2-(1-sulfanylideneethylamino)propanoic acid IUPAC Name: 3-[4-(3-acetyl-2,4-dimethyl-5-oxoimidazolidin-1-yl)phenyl]-2-(ethanethioylamino)propanoic acid Traditional Name: 3-[4-(3-acetyl-5-keto-2,4-dimethyl-imidazolidin-1-yl)phenyl]-2-(thioacetylamino)propionic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(N1C(=O)C)C)C2=CC=C(C=C2)CC(C(=O)O)NC(=S)C

Isomeric SMILES

CC1C(=O)N(C(N1C(=O)C)C)C2=CC=C(C=C2)CC(C(=O)O)NC(=S)C

InChI

InChI=1S/C18H23N3O4S/c1-10-17(23)21(12(3)20(10)13(4)22)15-7-5-14(6-8-15)9-16(18(24)25)19-11(2)26/h5-8,10,12,16H,9H2,1-4H3,(H,19,26)(H,24,25)