N-(2-methoxy-5-nitro-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H22N4O6S MolecularWeight: 458.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H22N4O6S/c1-13(19(27)22-17-12-14(25(29)30)8-9-18(17)31-2)32-21-23-16-7-4-3-6-15(16)20(28)24(21)10-5-11-26/h3-4,6-9,12-13,26H,5,10-11H2,1-2H3,(H,22,27)