2-isoquinolin-1-ylsulfanyl-N-[(2S)-2-oxidanylpropyl]ethanamide

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-N-[(2S)-2-oxidanylpropyl]ethanamide Openeye Name: N-[(2S)-2-hydroxypropyl]-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-[(2S)-2-hydroxypropyl]-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-[(2S)-2-hydroxypropyl]-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-[(2S)-2-hydroxypropyl]-2-(1-isoquinolylthio)acetamide Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC=CC2=CC=CC=C21)O

Isomeric SMILES

C[C@@H](CNC(=O)CSC1=NC=CC2=CC=CC=C21)O

InChI

InChI=1S/C14H16N2O2S/c1-10(17)8-16-13(18)9-19-14-12-5-3-2-4-11(12)6-7-15-14/h2-7,10,17H,8-9H2,1H3,(H,16,18)/t10-/m0/s1