2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: N-cyclohexyl-2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H32N4O5S/c33-26(29-20-4-2-1-3-5-20)17-38-28-30-23-8-7-21(31-10-12-35-13-11-31)15-22(23)27(34)32(28)16-19-6-9-24-25(14-19)37-18-36-24/h6-9,14-15,20H,1-5,10-13,16-18H2,(H,29,33)