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

Systemtic Name: (2S)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-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-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-p-cumenyl-propionamide Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C26H26N4O2S/c1-16(2)19-10-12-20(13-11-19)28-24(31)18(4)33-26-29-22-8-6-5-7-21(22)25(32)30(26)23-14-9-17(3)15-27-23/h5-16,18H,1-4H3,(H,28,31)/p+1/t18-/m0/s1