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

Systemtic Name: N-tert-butyl-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C29H31N3O2S/c1-21-14-16-23(17-15-21)18-31-27(34)24-12-8-9-13-25(24)30-28(31)35-20-26(33)32(29(2,3)4)19-22-10-6-5-7-11-22/h5-17H,18-20H2,1-4H3