[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C16H20N3O2S2+ MolecularWeight: 350.4789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S2/c1-19(8-12-6-7-22-10-12)9-16(21)18-13-4-2-3-5-14(13)23-11-15(17)20/h2-7,10H,8-9,11H2,1H3,(H2,17,20)(H,18,21)/p+1