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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[4-(isovalerylamino)phenyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C25H30N4O3S/c1-17(2)16-23(31)27-19-13-11-18(12-14-19)26-22(30)10-4-3-7-15-29-24(32)20-8-5-6-9-21(20)28-25(29)33/h5-6,8-9,11-14,17H,3-4,7,10,15-16H2,1-2H3,(H,26,30)(H,27,31)(H,28,33)