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

Systemtic Name: (2S)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide CAS Name: (2S)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-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]propionamide Formula: C24H23N4O2S+ MolecularWeight: 431.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC(C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-16-12-13-21(25-14-16)28-23(30)19-10-6-7-11-20(19)27-24(28)31-17(2)22(29)26-15-18-8-4-3-5-9-18/h3-14,17H,15H2,1-2H3,(H,26,29)/p+1/t17-/m0/s1