2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H17ClN4O4S/c1-14(21(29)25-16-9-11-17(12-10-16)28(31)32)33-23-26-20-8-3-2-7-19(20)22(30)27(23)18-6-4-5-15(24)13-18/h2-14H,1H3,(H,25,29)