N-[2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylacetyl]-2-phenyl-acetamide CAS Name: N-[2-[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2-phenylacetamide Traditional Name: N-[2-[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]acetyl]-2-phenyl-acetamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-3-19(2)21-13-15-22(16-14-21)31-27(34)23-11-7-8-12-24(23)29-28(31)35-18-26(33)30-25(32)17-20-9-5-4-6-10-20/h4-16,19H,3,17-18H2,1-2H3,(H,30,32,33)