N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-piperonyl-acetamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4S/c30-24(27-15-19-10-11-22-23(14-19)33-17-32-22)16-34-26-28-21-9-5-4-8-20(21)25(31)29(26)13-12-18-6-2-1-3-7-18/h4-6,8-11,14H,1-3,7,12-13,15-17H2,(H,27,30)