2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-[[(2S)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](OC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O5S/c27-21(24-11-16-4-3-9-29-16)13-32-23-25-18-6-2-1-5-17(18)22(28)26(23)12-15-7-8-19-20(10-15)31-14-30-19/h1-2,5-8,10,16H,3-4,9,11-14H2,(H,24,27)/t16-/m0/s1