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

Systemtic Name: (2S)-N-(4-bromophenyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]propionamide Formula: C23H20BrN4O2S+ MolecularWeight: 496.3995

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN4O2S/c1-14-7-12-20(25-13-14)28-22(30)18-5-3-4-6-19(18)27-23(28)31-15(2)21(29)26-17-10-8-16(24)9-11-17/h3-13,15H,1-2H3,(H,26,29)/p+1/t15-/m0/s1