N-[(2S)-butan-2-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-[(2S)-butan-2-yl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-(1H-perimidin-2-ylthio)acetamide Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC3=C2C(=CC=C3)N1

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC3=C2C(=CC=C3)N1

InChI

InChI=1S/C17H19N3OS/c1-3-11(2)18-15(21)10-22-17-19-13-8-4-6-12-7-5-9-14(20-17)16(12)13/h4-9,11H,3,10H2,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1