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

Systemtic Name: [(2S)-1-[(2-aminocarbonylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-carbamoylphenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2-carbamoylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-carbamoylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-carbamoylphenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1C(=O)N)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC=C1C(=O)N)[NH3+]

InChI

InChI=1S/C12H17N3O2S/c1-18-7-6-9(13)12(17)15-10-5-3-2-4-8(10)11(14)16/h2-5,9H,6-7,13H2,1H3,(H2,14,16)(H,15,17)/p+1/t9-/m0/s1