N-(2-methoxy-5-nitro-phenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]propionamide Formula: C22H18N4O4S2 MolecularWeight: 466.53272

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=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H18N4O4S2/c1-13(21(27)24-17-12-14(26(28)29)9-10-18(17)30-2)32-22-15-6-3-4-7-16(15)23-20(25-22)19-8-5-11-31-19/h3-13H,1-2H3,(H,24,27)