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

Systemtic Name: N-(3-methylbutyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-isopentyl-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(3-methylbutyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(3-methylbutyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-isoamyl-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C19H27N3O2S MolecularWeight: 361.50158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CC(C)CCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C19H27N3O2S/c1-14(2)11-12-20-17(23)10-4-3-7-13-22-18(24)15-8-5-6-9-16(15)21-19(22)25/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3,(H,20,23)(H,21,25)