N-[(3-methoxyphenyl)methyl]-6-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-6-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-6-(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(3-methoxyphenyl)methyl]-6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)-N-m-anisyl-hexanamide Formula: C26H32N4O4S MolecularWeight: 496.62168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

InChI

InChI=1S/C26H32N4O4S/c1-33-21-7-5-6-19(16-21)18-27-24(31)8-3-2-4-11-30-25(32)22-17-20(29-12-14-34-15-13-29)9-10-23(22)28-26(30)35/h5-7,9-10,16-17H,2-4,8,11-15,18H2,1H3,(H,27,31)(H,28,35)