N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]oxy-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]oxy-ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-2-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]oxy]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)acetamide Traditional Name: 2-[2-(benzylthio)-6-methyl-pyrimidin-4-yl]oxy-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino)acetamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)OCC(=O)NN=CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)OCC(=O)NN=CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H22N4O4S/c1-16-11-22(26-23(25-16)32-15-17-5-3-2-4-6-17)31-14-21(28)27-24-13-18-7-8-19-20(12-18)30-10-9-29-19/h2-8,11-13H,9-10,14-15H2,1H3,(H,27,28)