ethyl 2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-4-oxo-6-(1-piperidyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-(phenylmethyl)-6-(1-piperidinyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-4-oxo-6-piperidin-1-ylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-4-keto-6-piperidino-quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=C(C=C2)N3CCCCC3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=C(C=C2)N3CCCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S/c1-2-30-22(28)17-31-24-25-21-12-11-19(26-13-7-4-8-14-26)15-20(21)23(29)27(24)16-18-9-5-3-6-10-18/h3,5-6,9-12,15H,2,4,7-8,13-14,16-17H2,1H3