N-(1-cyano-4-methyl-cyclohexyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[3-(2-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[3-(2-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-(1-cyano-4-methylcyclohexyl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-(1-cyano-4-methylcyclohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[[3-(2-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C25H25FN4O2S MolecularWeight: 464.555003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C25H25FN4O2S/c1-17-11-13-25(16-27,14-12-17)29(2)22(31)15-33-24-28-20-9-5-3-7-18(20)23(32)30(24)21-10-6-4-8-19(21)26/h3-10,17H,11-15H2,1-2H3