N-(4-methoxyphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(4-methoxyphenyl)-2-[(2-phenyl-4-benzo[h]quinazolinyl)thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-(2-phenylbenzo[h]quinazolin-4-yl)sulfanylacetamide Traditional Name: N-(4-methoxyphenyl)-2-[(2-phenylbenzo[h]quinazolin-4-yl)thio]acetamide Formula: C27H21N3O2S MolecularWeight: 451.53954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2S/c1-32-21-14-12-20(13-15-21)28-24(31)17-33-27-23-16-11-18-7-5-6-10-22(18)25(23)29-26(30-27)19-8-3-2-4-9-19/h2-16H,17H2,1H3,(H,28,31)