N-cyclooctyl-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-cyclooctyl-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-cyclooctyl-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-cyclooctyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-cyclooctyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-cyclooctyl-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C22H31N3O2S MolecularWeight: 401.56544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C22H31N3O2S/c26-20(23-17-11-5-2-1-3-6-12-17)15-7-4-10-16-25-21(27)18-13-8-9-14-19(18)24-22(25)28/h8-9,13-14,17H,1-7,10-12,15-16H2,(H,23,26)(H,24,28)