[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-[4-(methylthio)benzyl]ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H25N3O2S/c1-4-23(13-16-5-11-19(26-3)12-6-16)14-20(25)22-18-9-7-17(8-10-18)21-15(2)24/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1