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

Systemtic Name: (2S)-N-methyl-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-N-methyl-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide CAS Name: (2S)-N-methyl-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-N-methyl-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Traditional Name: (2S)-N-benzyl-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-methyl-propionamide Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-17-13-14-22(26-15-17)29-24(31)20-11-7-8-12-21(20)27-25(29)32-18(2)23(30)28(3)16-19-9-5-4-6-10-19/h4-15,18H,16H2,1-3H3/p+1/t18-/m0/s1