2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS2/c1-4-16-10-11-18-19(14-16)27-21(22-18)24(13-12-23(2)3)20(25)15-26-17-8-6-5-7-9-17/h5-11,14H,4,12-13,15H2,1-3H3/p+1