[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-bis(furan-2-ylmethyl)azanium

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-bis(furan-2-ylmethyl)azanium Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl]-bis(2-furylmethyl)ammonium CAS Name: [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl]-bis(2-furanylmethyl)ammonium IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium Traditional Name: [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl]-bis(2-furfuryl)ammonium Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CO3)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CO3)SCC(=O)N

InChI

InChI=1S/C20H21N3O4S/c21-19(24)14-28-18-8-2-1-7-17(18)22-20(25)13-23(11-15-5-3-9-26-15)12-16-6-4-10-27-16/h1-10H,11-14H2,(H2,21,24)(H,22,25)/p+1