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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N3O4S/c1-2-18-9-3-5-11-21(18)28-25(31)17-35-27-29-22-12-6-4-10-20(22)26(32)30(27)15-19-16-33-23-13-7-8-14-24(23)34-19/h3-14,19H,2,15-17H2,1H3,(H,28,31)