2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(m-tolyl)acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C23H27N3O2S/c1-3-4-5-8-14-26-22(28)19-12-6-7-13-20(19)25-23(26)29-16-21(27)24-18-11-9-10-17(2)15-18/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3,(H,24,27)