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

Systemtic Name: N-(2-cyanoethyl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-(2-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-(2-fluorophenyl)acetamide Formula: C25H25FN4O2S MolecularWeight: 464.555003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4F

InChI

InChI=1S/C25H25FN4O2S/c26-20-12-5-7-14-22(20)29(16-8-15-27)23(31)17-33-25-28-21-13-6-4-11-19(21)24(32)30(25)18-9-2-1-3-10-18/h4-7,11-14,18H,1-3,8-10,16-17H2