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

Systemtic Name: (2S)-N-(cyclohexylcarbamoyl)-2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Openeye Name: (2S)-N-(cyclohexylcarbamoyl)-2-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide CAS Name: (2S)-N-[(cyclohexylamino)-oxomethyl]-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]propanamide IUPAC Name: (2S)-N-(cyclohexylcarbamoyl)-2-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Traditional Name: (2S)-N-(cyclohexylcarbamoyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]propionamide Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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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)NC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C(=O)NC(=O)NC4CCCCC4

InChI

InChI=1S/C24H27N5O3S/c1-15-12-13-25-20(14-15)29-22(31)18-10-6-7-11-19(18)27-24(29)33-16(2)21(30)28-23(32)26-17-8-4-3-5-9-17/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H2,26,28,30,32)/p+1/t16-/m0/s1