2-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3OS2+ MolecularWeight: 420.99912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC[NH+](C)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC[NH+](C)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3OS2/c1-14-9-10-16(21)19-18(14)22-20(27-19)24(12-11-23(2)3)17(25)13-26-15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3/p+1