[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]azanium

Systemtic Name: [(R)-(4-methylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]azanium Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl]-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]ammonium IUPAC Name: [(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]azanium Traditional Name: [2-keto-2-[2-(phenylthio)ethylamino]ethyl]-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C22H25N2OS2+ MolecularWeight: 397.5767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H24N2OS2/c1-17-9-11-18(12-10-17)22(20-8-5-14-27-20)24-16-21(25)23-13-15-26-19-6-3-2-4-7-19/h2-12,14,22,24H,13,15-16H2,1H3,(H,23,25)/p+1/t22-/m1/s1