[(2S)-1-[(4-acetamidophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-acetamidophenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-acetamidoanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-acetamidoanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-acetamidophenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S/c1-9(17)15-10-3-5-11(6-4-10)16-13(18)12(14)7-8-19-2/h3-6,12H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)/p+1/t12-/m0/s1