3-methyl-N-[4-[2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]acetyl]phenyl]-3-methyl-butyramide Formula: C27H27N4O3S+ MolecularWeight: 487.59328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)C4=CC=C(C=C4)NC(=O)CC(C)C

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)C4=CC=C(C=C4)NC(=O)CC(C)C

InChI

InChI=1S/C27H26N4O3S/c1-17(2)14-25(33)29-20-11-9-19(10-12-20)23(32)16-35-27-30-22-7-5-4-6-21(22)26(34)31(27)24-13-8-18(3)15-28-24/h4-13,15,17H,14,16H2,1-3H3,(H,29,32,33)/p+1