2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

InChI

InChI=1S/C25H25N3O4S/c1-2-14-28-23(30)18-8-4-5-9-19(18)27-24(28)33-16-22(29)26-17-10-11-20-21(15-17)32-25(31-20)12-6-3-7-13-25/h2,4-5,8-11,15H,1,3,6-7,12-14,16H2,(H,26,29)