2-[[(2S)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]amino]ethylazanium

Systemtic Name: 2-[[(2S)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]amino]ethylazanium Openeye Name: 2-[[(2S)-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylpropanoyl]amino]ethylammonium CAS Name: 2-[[(2S)-2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[[(2S)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanoyl]amino]ethylazanium Traditional Name: 2-[[(2S)-2-[[2-keto-2-(m-toluidino)ethyl]thio]propanoyl]amino]ethylammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC(C)C(=O)NCC[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CS[C@@H](C)C(=O)NCC[NH3+]

InChI

InChI=1S/C14H21N3O2S/c1-10-4-3-5-12(8-10)17-13(18)9-20-11(2)14(19)16-7-6-15/h3-5,8,11H,6-7,9,15H2,1-2H3,(H,16,19)(H,17,18)/p+1/t11-/m0/s1