2-(4-oxidanylidene-3-phenethyl-7-piperidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-7-piperidin-1-ylcarbonyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-7-[oxo(1-piperidinyl)methyl]-3-phenethyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-oxo-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-2-yl]thio]acetonitrile Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2S/c25-12-16-31-24-26-21-17-19(22(29)27-13-5-2-6-14-27)9-10-20(21)23(30)28(24)15-11-18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11,13-16H2