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

Systemtic Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl]ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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