(2S)-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[2-(dimethylamino)-2-oxo-ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[2-(dimethylamino)-2-oxoethyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-[2-(dimethylamino)-2-keto-ethyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC(=O)C(CCSC)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

CN(C)C(=O)CNC(=O)[C@H](CCSC)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O4S/c1-20(2)16(22)11-18-17(23)14(9-10-25-3)19-15(21)12-24-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,23)(H,19,21)/t14-/m0/s1