1,3-benzothiazol-2-ylmethyl-methyl-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[3-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[3-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C18H20N3OS2+ MolecularWeight: 358.5009

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C18H19N3OS2/c1-21(12-18-20-15-8-3-4-9-16(15)24-18)11-17(22)19-13-6-5-7-14(10-13)23-2/h3-10H,11-12H2,1-2H3,(H,19,22)/p+1