N-tert-butyl-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(phenylmethyl)ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)N(CC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)N(CC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H28N4O2S/c1-19-14-15-23(28-16-19)31-25(33)21-12-8-9-13-22(21)29-26(31)34-18-24(32)30(27(2,3)4)17-20-10-6-5-7-11-20/h5-16H,17-18H2,1-4H3/p+1