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

Systemtic Name: N-(2-ethylhexyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(2-ethylhexyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(2-ethylhexyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(2-ethylhexyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(2-ethylhexyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CCCCC(CC)CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C22H33N3O2S/c1-3-5-11-17(4-2)16-23-20(26)14-7-6-10-15-25-21(27)18-12-8-9-13-19(18)24-22(25)28/h8-9,12-13,17H,3-7,10-11,14-16H2,1-2H3,(H,23,26)(H,24,28)