N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C18H21N3O3S/c1-10-11(2)19-18(20-12(10)3)25-13(4)17(22)21-14-5-6-15-16(9-14)24-8-7-23-15/h5-6,9,13H,7-8H2,1-4H3,(H,21,22)