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

Systemtic Name: (2S)-N-(3-methoxyphenyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Openeye Name: (2S)-N-(3-methoxyphenyl)-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide CAS Name: (2S)-N-(3-methoxyphenyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]propanamide IUPAC Name: (2S)-N-(3-methoxyphenyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Traditional Name: (2S)-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-(3-methoxyphenyl)propionamide Formula: C24H23N4O3S+ MolecularWeight: 447.52942

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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)NC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H22N4O3S/c1-15-11-12-21(25-14-15)28-23(30)19-9-4-5-10-20(19)27-24(28)32-16(2)22(29)26-17-7-6-8-18(13-17)31-3/h4-14,16H,1-3H3,(H,26,29)/p+1/t16-/m0/s1