[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: methyl-[2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-keto-2-[[(1R)-1-methylpropyl]carbamoylamino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(C=C1)SC

InChI

InChI=1S/C16H25N3O2S/c1-5-12(2)17-16(21)18-15(20)11-19(3)10-13-6-8-14(22-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H2,17,18,20,21)/p+1/t12-/m1/s1