(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21N3O3S/c1-14-12-18(16-6-4-3-5-7-16)25-22(23-14)29-15(2)21(26)24-17-8-9-19-20(13-17)28-11-10-27-19/h3-9,12-13,15H,10-11H2,1-2H3,(H,24,26)/t15-/m1/s1