2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[3-[(2S)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[3-[(1S)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]-N-isopropyl-acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C

Isomeric SMILES

C[C@@H](CCCC(C)C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C

InChI

InChI=1S/C21H31N3O2S/c1-14(2)9-8-10-16(5)24-20(26)17-11-6-7-12-18(17)23-21(24)27-13-19(25)22-15(3)4/h6-7,11-12,14-16H,8-10,13H2,1-5H3,(H,22,25)/t16-/m0/s1