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

Systemtic Name: N-cyclopropyl-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclopropyl-2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclopropyl-2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclopropyl-2-[[3-[(1S)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CC3

Isomeric SMILES

C[C@@H](CCCC(C)C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CC3

InChI

InChI=1S/C21H29N3O2S/c1-14(2)7-6-8-15(3)24-20(26)17-9-4-5-10-18(17)23-21(24)27-13-19(25)22-16-11-12-16/h4-5,9-10,14-16H,6-8,11-13H2,1-3H3,(H,22,25)/t15-/m0/s1