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

Systemtic Name: (2S)-N-(2-azanylethyl)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-butanamide Openeye Name: (2S)-N-(2-aminoethyl)-2-(2-anilino-2-oxo-ethyl)sulfanyl-butanamide CAS Name: (2S)-N-(2-aminoethyl)-2-[(2-anilino-2-oxoethyl)thio]butanamide IUPAC Name: (2S)-N-(2-aminoethyl)-2-(2-anilino-2-oxoethyl)sulfanylbutanamide Traditional Name: (2S)-N-(2-aminoethyl)-2-[(2-anilino-2-keto-ethyl)thio]butyramide Formula: C14H21N3O2S MolecularWeight: 295.40044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-2-12(14(19)16-9-8-15)20-10-13(18)17-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1