(2S)-N-(2-nitrophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-nitrophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(2-nitrophenyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-(2-nitrophenyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(2-nitrophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2-nitrophenyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]propionamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3S2/c1-13(20(26)23-16-9-4-5-10-17(16)25(27)28)30-21-14-7-2-3-8-15(14)22-19(24-21)18-11-6-12-29-18/h2-13H,1H3,(H,23,26)/t13-/m0/s1