3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[1-oxo-3-(phenylthio)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[3-(phenylthio)propanoyl]amino]propyl-dimethyl-ammonium Formula: C23H30N3OS2+ MolecularWeight: 428.6338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3OS2/c1-17-15-18(2)22-20(16-17)24-23(29-22)26(13-8-12-25(3)4)21(27)11-14-28-19-9-6-5-7-10-19/h5-7,9-10,15-16H,8,11-14H2,1-4H3/p+1