3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-[[2-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-[2-(methylthio)benzoyl]amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H25N3O2S2/c1-23(2)13-8-14-24(20(25)15-9-5-6-11-17(15)27-4)21-22-19-16(26-3)10-7-12-18(19)28-21/h5-7,9-12H,8,13-14H2,1-4H3/p+1