[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)[NH+](C)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C(=O)NC1=NC2=CC=CC=C2S1)[NH+](C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H21N3OS2/c1-13(22(2)12-14-8-10-15(24-3)11-9-14)18(23)21-19-20-16-6-4-5-7-17(16)25-19/h4-11,13H,12H2,1-3H3,(H,20,21,23)/p+1/t13-/m1/s1