(1E)-N-(ethyl-methyl-phenyl-azaniumyl)-2-(3-methylsulfanylpropanoylamino)-2-(phenylmethyl)butanimidate

Systemtic Name: (1E)-N-(ethyl-methyl-phenyl-azaniumyl)-2-(3-methylsulfanylpropanoylamino)-2-(phenylmethyl)butanimidate Openeye Name: (1E)-2-benzyl-N-(ethyl-methyl-phenyl-ammonio)-2-(3-methylsulfanylpropanoylamino)butanimidate CAS Name: (1E)-N-(ethyl-methyl-phenylammonio)-2-[[3-(methylthio)-1-oxopropyl]amino]-2-(phenylmethyl)butanimidate IUPAC Name: (1E)-2-benzyl-N-(ethyl-methyl-phenylazaniumyl)-2-(3-methylsulfanylpropanoylamino)butanimidate Traditional Name: (1E)-2-benzyl-N-(ethyl-methyl-phenyl-ammonio)-2-[3-(methylthio)propanoylamino]butyrimidate Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(C(=N[N+](C)(CC)C2=CC=CC=C2)[O-])NC(=O)CCSC

Isomeric SMILES

CCC(CC1=CC=CC=C1)(/C(=N\[N+](C)(CC)C2=CC=CC=C2)/[O-])NC(=O)CCSC

InChI

InChI=1S/C24H33N3O2S/c1-5-24(25-22(28)17-18-30-4,19-20-13-9-7-10-14-20)23(29)26-27(3,6-2)21-15-11-8-12-16-21/h7-16H,5-6,17-19H2,1-4H3,(H-,25,26,28,29)