2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]acetamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H21N3O3S2/c1-14-11-15(2)24-22(23-14)30-17-5-3-16(4-6-17)25-21(26)13-29-18-7-8-19-20(12-18)28-10-9-27-19/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,26)