2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2S/c1-19-16-20(2)26(21(3)17-19)30-25(32)18-34-28-29-24-14-8-7-13-23(24)27(33)31(28)15-9-12-22-10-5-4-6-11-22/h4-8,10-11,13-14,16-17H,9,12,15,18H2,1-3H3,(H,30,32)