(2S)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide

Systemtic Name: (2S)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide Openeye Name: (2S)-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide CAS Name: (2S)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-(2-phenylphenyl)propanamide IUPAC Name: (2S)-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide Traditional Name: (2S)-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-(2-phenylphenyl)propionamide Formula: C29H25N4O2S+ MolecularWeight: 493.5994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC(C)C(=O)NC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C(=O)NC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O2S/c1-19-16-17-26(30-18-19)33-28(35)23-13-7-9-15-25(23)32-29(33)36-20(2)27(34)31-24-14-8-6-12-22(24)21-10-4-3-5-11-21/h3-18,20H,1-2H3,(H,31,34)/p+1/t20-/m0/s1