dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[4-(methylthio)-1,3-benzothiazol-2-yl]-[1-oxo-2-(phenylthio)ethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[[4-(methylthio)-1,3-benzothiazol-2-yl]-[2-(phenylthio)acetyl]amino]ethyl]ammonium Formula: C20H24N3OS3+ MolecularWeight: 418.61906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS3/c1-22(2)12-13-23(18(24)14-26-15-8-5-4-6-9-15)20-21-19-16(25-3)10-7-11-17(19)27-20/h4-11H,12-14H2,1-3H3/p+1