(2S)-N-(2-azanylethyl)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-azanylethyl)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-propanamide Openeye Name: (2S)-N-(2-aminoethyl)-2-(2-anilino-2-oxo-ethyl)sulfanyl-propanamide CAS Name: (2S)-N-(2-aminoethyl)-2-[(2-anilino-2-oxoethyl)thio]propanamide IUPAC Name: (2S)-N-(2-aminoethyl)-2-(2-anilino-2-oxoethyl)sulfanylpropanamide Traditional Name: (2S)-N-(2-aminoethyl)-2-[(2-anilino-2-keto-ethyl)thio]propionamide Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCN)SCC(=O)NC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NCCN)SCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C13H19N3O2S/c1-10(13(18)15-8-7-14)19-9-12(17)16-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,18)(H,16,17)/t10-/m0/s1