N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-2-(quinazolin-4-ylthio)acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C22H25N3OS/c1-4-16-9-11-17(12-10-16)21(15(2)3)25-20(26)13-27-22-18-7-5-6-8-19(18)23-14-24-22/h5-12,14-15,21H,4,13H2,1-3H3,(H,25,26)/t21-/m0/s1