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

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-quinazolin-2-yl]thio]-N-(2-pyridylmethyl)butyramide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=N1)SC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=N1)SC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H26N4O4S/c1-2-24(25(32)29-15-18-9-7-8-14-28-18)36-27-30-21-11-4-3-10-20(21)26(33)31(27)16-19-17-34-22-12-5-6-13-23(22)35-19/h3-14,19,24H,2,15-17H2,1H3,(H,29,32)