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

Systemtic Name: [(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(3-chloro-4-methoxy-phenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(3-chloro-4-methoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-chloro-4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(3-chloro-4-methoxy-phenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C12H18ClN2O2S+ MolecularWeight: 289.80152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)[NH3+])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)[NH3+])Cl

InChI

InChI=1S/C12H17ClN2O2S/c1-17-11-4-3-8(7-9(11)13)15-12(16)10(14)5-6-18-2/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1