[(2S)-1-[(4-bromanyl-2-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-bromanyl-2-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-bromo-2-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-bromo-2-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-bromo-2-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-bromo-2-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C12H18BrN2OS+ MolecularWeight: 318.25312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C12H17BrN2OS/c1-8-7-9(13)3-4-11(8)15-12(16)10(14)5-6-17-2/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1