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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]azanium Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]azanium Traditional Name: [2-[2-(allylthio)anilino]-2-keto-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C20H21N3OS2/c1-3-12-25-17-10-6-4-8-15(17)21-19(24)13-23(2)14-20-22-16-9-5-7-11-18(16)26-20/h3-11H,1,12-14H2,2H3,(H,21,24)/p+1