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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(2-ethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N4O2S/c1-3-15-8-4-5-9-16(15)23-19(26)12-22-20(27)13-25(2)14-21-24-17-10-6-7-11-18(17)28-21/h4-11H,3,12-14H2,1-2H3,(H,22,27)(H,23,26)/p+1