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

Systemtic Name: (2S)-2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-naphthalen-1-yl-propanamide Openeye Name: (2S)-2-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(1-naphthyl)propanamide CAS Name: (2S)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-(1-naphthalenyl)propanamide IUPAC Name: (2S)-2-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-naphthalen-1-ylpropanamide Traditional Name: (2S)-2-[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-(1-naphthyl)propionamide Formula: C27H23N4O2S+ MolecularWeight: 467.56212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC(C)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O2S/c1-17-14-15-28-24(16-17)31-26(33)21-11-5-6-12-23(21)30-27(31)34-18(2)25(32)29-22-13-7-9-19-8-3-4-10-20(19)22/h3-16,18H,1-2H3,(H,29,32)/p+1/t18-/m0/s1