6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]hexanamide Openeye Name: N-[[2-(isopropoxymethyl)phenyl]methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]hexanamide Traditional Name: N-[2-(isopropoxymethyl)benzyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=CC=C1CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)OCC1=CC=CC=C1CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C25H31N3O3S/c1-18(2)31-17-20-11-6-5-10-19(20)16-26-23(29)14-4-3-9-15-28-24(30)21-12-7-8-13-22(21)27-25(28)32/h5-8,10-13,18H,3-4,9,14-17H2,1-2H3,(H,26,29)(H,27,32)