N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-pyrimidylthio)acetamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C15H15N3O3S/c1-10(11-3-4-12-13(7-11)21-9-20-12)18-14(19)8-22-15-16-5-2-6-17-15/h2-7,10H,8-9H2,1H3,(H,18,19)/t10-/m1/s1