2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C23H23N3O2S MolecularWeight: 405.51262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C

InChI

InChI=1S/C23H23N3O2S/c1-4-14-24-21(27)15-29-23-25-20-9-7-6-8-19(20)22(28)26(23)18-12-10-17(11-13-18)16(3)5-2/h1,6-13,16H,5,14-15H2,2-3H3,(H,24,27)