1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(p-tolylmethylsulfanyl)ethylamino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-[(4-methylphenyl)methylthio]ethylamino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[2-[(4-methylbenzyl)thio]ethylamino]ethyl]-methyl-ammonium Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3OS2/c1-16-7-9-17(10-8-16)15-26-12-11-22-20(25)13-24(2)14-21-23-18-5-3-4-6-19(18)27-21/h3-10H,11-15H2,1-2H3,(H,22,25)/p+1