N-(1-cyanocyclopentyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclopentyl)acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c24-16-23(12-6-7-13-23)26-20(28)15-30-22-25-19-11-5-4-10-18(19)21(29)27(22)14-17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-15H2,(H,26,28)