N-[(2S)-6-methylheptan-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-(quinazolin-4-ylthio)acetamide Formula: C18H25N3OS MolecularWeight: 331.4756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS/c1-13(2)7-6-8-14(3)21-17(22)11-23-18-15-9-4-5-10-16(15)19-12-20-18/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H,21,22)/t14-/m0/s1