2-[1,3-benzothiazol-2-yl-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[2-(4-methylphenyl)sulfanylethanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[2-(p-tolylsulfanyl)acetyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[2-(4-methylphenyl)sulfanylacetyl]amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[2-(p-tolylthio)acetyl]amino]ethyl-diethyl-ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3OS2/c1-4-24(5-2)14-15-25(22-23-19-8-6-7-9-20(19)28-22)21(26)16-27-18-12-10-17(3)11-13-18/h6-13H,4-5,14-16H2,1-3H3/p+1