N-[(2S)-heptan-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-(quinazolin-4-ylthio)acetamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC=NC2=CC=CC=C21

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C17H23N3OS/c1-3-4-5-8-13(2)20-16(21)11-22-17-14-9-6-7-10-15(14)18-12-19-17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,20,21)/t13-/m0/s1