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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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