N-(2,6-diethylphenyl)-2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-(4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[(4-oxo-3-phenethyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-(4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[(4-keto-3-phenethyl-quinazolin-2-yl)thio]acetamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-3-21-13-10-14-22(4-2)26(21)30-25(32)19-34-28-29-24-16-9-8-15-23(24)27(33)31(28)18-17-20-11-6-5-7-12-20/h5-16H,3-4,17-19H2,1-2H3,(H,30,32)