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

Systemtic Name: (2S)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2S)-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2S)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2S)-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2S)-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-(4-piperidinophenyl)propionamide Formula: C28H30N5O2S+ MolecularWeight: 500.6351

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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)N5CCCCC5

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)N5CCCCC5

InChI

InChI=1S/C28H29N5O2S/c1-19-10-15-25(29-18-19)33-27(35)23-8-4-5-9-24(23)31-28(33)36-20(2)26(34)30-21-11-13-22(14-12-21)32-16-6-3-7-17-32/h4-5,8-15,18,20H,3,6-7,16-17H2,1-2H3,(H,30,34)/p+1/t20-/m0/s1