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

Systemtic Name: N-tert-butyl-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H28N4O2S/c1-19-14-15-28-23(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