[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]azanium

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]azanium Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl]-ethyl-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]ammonium CAS Name: [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(phenylthio)anilino]ethyl]ammonium IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]azanium Traditional Name: [2-(carbethoxyamino)-2-keto-ethyl]-ethyl-[2-keto-2-[2-(phenylthio)anilino]ethyl]ammonium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)CC(=O)NC(=O)OCC

Isomeric SMILES

CC[NH+](CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)CC(=O)NC(=O)OCC

InChI

InChI=1S/C21H25N3O4S/c1-3-24(15-20(26)23-21(27)28-4-2)14-19(25)22-17-12-8-9-13-18(17)29-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,22,25)(H,23,26,27)/p+1