N-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N3O4S/c29-23(26-17-8-2-1-3-9-17)16-33-25-27-20-11-5-4-10-19(20)24(30)28(25)14-18-15-31-21-12-6-7-13-22(21)32-18/h4-7,10-13,17-18H,1-3,8-9,14-16H2,(H,26,29)