[(2S,3S)-3-methyl-1-[(4-methylsulfanylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[(4-methylsulfanylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(4-methylsulfanylphenyl)carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[4-(methylthio)anilino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[[4-(methylthio)phenyl]carbamoyl]butyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)SC)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)SC)[NH3+]

InChI

InChI=1S/C13H20N2OS/c1-4-9(2)12(14)13(16)15-10-5-7-11(17-3)8-6-10/h5-9,12H,4,14H2,1-3H3,(H,15,16)/p+1/t9-,12-/m0/s1