dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl]azanium Openeye Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[1-oxo-3-(phenylthio)propyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[3-(phenylthio)propanoyl]amino]propyl]ammonium Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS2/c1-17-9-7-12-19-21(17)23-22(28-19)25(15-8-14-24(2)3)20(26)13-16-27-18-10-5-4-6-11-18/h4-7,9-12H,8,13-16H2,1-3H3/p+1