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

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c31-25(28-15-14-19-8-2-1-3-9-19)18-35-27-29-22-11-5-4-10-21(22)26(32)30(27)16-20-17-33-23-12-6-7-13-24(23)34-20/h1-13,20H,14-18H2,(H,28,31)