ethyl 2-(4-oxidanylidene-3-phenyl-7-piperidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-oxidanylidene-3-phenyl-7-piperidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[4-oxo-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-7-[oxo(1-piperidinyl)methyl]-3-phenyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCCCC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-2-31-21(28)16-32-24-25-20-15-17(22(29)26-13-7-4-8-14-26)11-12-19(20)23(30)27(24)18-9-5-3-6-10-18/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3