N-(4-butylphenyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(C)C

InChI

InChI=1S/C29H31N3O2S/c1-4-5-10-21-15-17-22(18-16-21)30-27(33)19-35-29-31-25-13-8-6-12-24(25)28(34)32(29)26-14-9-7-11-23(26)20(2)3/h6-9,11-18,20H,4-5,10,19H2,1-3H3,(H,30,33)