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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-11-3-2-4-12(9-11)17-14(19)10-20-8-5-13(18)16-7-6-15/h2-4,9H,5-8,10,15H2,1H3,(H,16,18)(H,17,19)/p+1