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

Systemtic Name: N-tert-butyl-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetamide Formula: C28H29N3O2S MolecularWeight: 471.61376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O2S/c1-20-14-16-22(17-15-20)31-26(33)23-12-8-9-13-24(23)29-27(31)34-19-25(32)30(28(2,3)4)18-21-10-6-5-7-11-21/h5-17H,18-19H2,1-4H3