[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-benzyl-ethylazanium Traditional Name: [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl]-benzyl-ethyl-ammonium Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C19H23N3O2S/c1-2-22(12-15-8-4-3-5-9-15)13-19(24)21-16-10-6-7-11-17(16)25-14-18(20)23/h3-11H,2,12-14H2,1H3,(H2,20,23)(H,21,24)/p+1