N-(2,3-dimethylphenyl)-2-[2-(1H-perimidin-2-ylsulfanyl)ethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-(1H-perimidin-2-ylsulfanyl)ethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-(1H-perimidin-2-ylsulfanyl)acetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[1-oxo-2-(1H-perimidin-2-ylthio)ethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-(1H-perimidin-2-ylsulfanyl)acetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-(1H-perimidin-2-ylthio)acetyl]amino]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)C

InChI

InChI=1S/C23H22N4O2S/c1-14-6-3-9-17(15(14)2)25-20(28)12-24-21(29)13-30-23-26-18-10-4-7-16-8-5-11-19(27-23)22(16)18/h3-11H,12-13H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)