2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyanocyclohexyl)propionamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H25ClN4O2S/c1-17(22(31)29-25(16-27)13-7-2-8-14-25)33-24-28-21-12-6-4-10-19(21)23(32)30(24)15-18-9-3-5-11-20(18)26/h3-6,9-12,17H,2,7-8,13-15H2,1H3,(H,29,31)