N-tert-butyl-2-[4-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-[2-(phenylthio)anilino]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C25H35N4O2S+ MolecularWeight: 455.636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S/c1-25(2,3)27-24(31)19-29-15-9-14-28(16-17-29)18-23(30)26-21-12-7-8-13-22(21)32-20-10-5-4-6-11-20/h4-8,10-13H,9,14-19H2,1-3H3,(H,26,30)(H,27,31)/p+1