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

Systemtic Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]propyl]azanium Openeye Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]propyl]ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS2/c1-16-9-7-12-18-20(16)22-21(27-18)24(14-8-13-23(2)3)19(25)15-26-17-10-5-4-6-11-17/h4-7,9-12H,8,13-15H2,1-3H3/p+1