N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-(4-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C24H23FN4O2S MolecularWeight: 450.528423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4O2S/c25-17-10-12-18(13-11-17)28(15-5-14-26)22(30)16-32-24-27-21-9-4-3-8-20(21)23(31)29(24)19-6-1-2-7-19/h3-4,8-13,19H,1-2,5-7,15-16H2