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

Systemtic Name: (2S)-N-(4-tert-butylphenyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Openeye Name: (2S)-N-(4-tert-butylphenyl)-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide CAS Name: (2S)-N-(4-tert-butylphenyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]propanamide IUPAC Name: (2S)-N-(4-tert-butylphenyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Traditional Name: (2S)-N-(4-tert-butylphenyl)-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]propionamide Formula: C27H29N4O2S+ MolecularWeight: 473.60976

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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)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)C

InChI

InChI=1S/C27H28N4O2S/c1-17-10-15-23(28-16-17)31-25(33)21-8-6-7-9-22(21)30-26(31)34-18(2)24(32)29-20-13-11-19(12-14-20)27(3,4)5/h6-16,18H,1-5H3,(H,29,32)/p+1/t18-/m0/s1