N-(4-butylphenyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

InChI

InChI=1S/C27H27N3O2S/c1-3-4-10-20-14-16-21(17-15-20)28-25(31)18-33-27-29-23-12-7-6-11-22(23)26(32)30(27)24-13-8-5-9-19(24)2/h5-9,11-17H,3-4,10,18H2,1-2H3,(H,28,31)