methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]azanium

Systemtic Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]azanium Openeye Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]ammonium CAS Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]ammonium IUPAC Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]azanium Traditional Name: [2-keto-2-[2-(phenylthio)ethylamino]ethyl]-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-21-20(25)17-10-8-16(9-11-17)14-23(2)15-19(24)22-12-13-26-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,21,25)(H,22,24)/p+1