ethyl 2-[4-oxidanylidene-3-[[4-(phenethylcarbamoyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-[[4-(phenethylcarbamoyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-oxo-3-[[4-(phenethylcarbamoyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-[[4-[oxo-(phenethylamino)methyl]cyclohexyl]methyl]-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-3-[[4-(phenethylcarbamoyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[[4-(phenethylcarbamoyl)cyclohexyl]methyl]quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C28H33N3O4S MolecularWeight: 507.64432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O4S/c1-2-35-25(32)19-36-28-30-24-11-7-6-10-23(24)27(34)31(28)18-21-12-14-22(15-13-21)26(33)29-17-16-20-8-4-3-5-9-20/h3-11,21-22H,2,12-19H2,1H3,(H,29,33)