[(2S)-1-[(3-bromanyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-bromanyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(3-bromo-4-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(3-bromo-4-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-bromo-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(3-bromo-4-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=C(C=C1)NC(=O)C(CCSC)[NH3+])Br

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2OS/c1-8-3-4-9(7-10(8)13)15-12(16)11(14)5-6-17-2/h3-4,7,11H,5-6,14H2,1-2H3,(H,15,16)/p+1/t11-/m0/s1