2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[3-(p-tolylsulfanyl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[3-(p-tolylthio)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C23H30N3OS2+ MolecularWeight: 428.6338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC(=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC(=C3C)C

InChI

InChI=1S/C23H29N3OS2/c1-16-6-9-19(10-7-16)28-15-12-21(27)26(14-13-25(4)5)23-24-22-18(3)17(2)8-11-20(22)29-23/h6-11H,12-15H2,1-5H3/p+1