N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@H](C)C3=CC4=C(C=C3)OCO4

InChI

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