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

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dimethylcyclohexyl)acetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]acetamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC(C4C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC(C4C)C

InChI

InChI=1S/C28H35N3O2S/c1-5-18(2)21-13-15-22(16-14-21)31-27(33)23-10-6-7-11-25(23)30-28(31)34-17-26(32)29-24-12-8-9-19(3)20(24)4/h6-7,10-11,13-16,18-20,24H,5,8-9,12,17H2,1-4H3,(H,29,32)