N-[1-(4-methylphenyl)propyl]-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1-(4-methylphenyl)propyl]-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-[1-(p-tolyl)propyl]acetamide CAS Name: N-[1-(4-methylphenyl)propyl]-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[1-(4-methylphenyl)propyl]-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-[1-(p-tolyl)propyl]acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C25H29N3O3S/c1-3-21(18-12-10-17(2)11-13-18)26-23(29)16-32-25-27-22-9-5-4-8-20(22)24(30)28(25)15-19-7-6-14-31-19/h4-5,8-13,19,21H,3,6-7,14-16H2,1-2H3,(H,26,29)