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

Systemtic Name: N-(2-methyl-4-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-methyl-4-nitro-phenyl)propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H22N4O5S/c1-13-12-15(25(29)30)8-9-17(13)22-19(27)14(2)31-21-23-18-7-4-3-6-16(18)20(28)24(21)10-5-11-26/h3-4,6-9,12,14,26H,5,10-11H2,1-2H3,(H,22,27)