2-[3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethylazanium

Systemtic Name: 2-[3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethylazanium Openeye Name: 2-[3-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylpropanoylamino]ethylammonium CAS Name: 2-[[3-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[3-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanoylamino]ethylazanium Traditional Name: 2-[3-[[2-(4-ethylanilino)-2-keto-ethyl]thio]propanoylamino]ethylammonium Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC[NH3+]

InChI

InChI=1S/C15H23N3O2S/c1-2-12-3-5-13(6-4-12)18-15(20)11-21-10-7-14(19)17-9-8-16/h3-6H,2,7-11,16H2,1H3,(H,17,19)(H,18,20)/p+1