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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCC4=CN=CC=C4

InChI

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