[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H22N4O4S2/c1-26-12-11-23-22(26)32-14-20(28)25-18-6-4-3-5-17(18)21(29)30-13-19(27)24-15-7-9-16(31-2)10-8-15/h3-12H,13-14H2,1-2H3,(H,24,27)(H,25,28)