4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide Openeye Name: 4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(2-pyridylmethyl)cyclohexanecarboxamide CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(2-pyridinylmethyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(2-pyridylmethyl)cyclohexanecarboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H24N4O2S/c27-20(24-13-17-5-3-4-12-23-17)16-10-8-15(9-11-16)14-26-21(28)18-6-1-2-7-19(18)25-22(26)29/h1-7,12,15-16H,8-11,13-14H2,(H,24,27)(H,25,29)