1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxidanylideneoxolan-3-yl)thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxidanylideneoxolan-3-yl)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxotetrahydrofuran-3-yl)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-3-oxolanyl)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxooxolan-3-yl)thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ketotetrahydrofuran-3-yl)thiourea Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1NC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1COC(=O)C1NC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C13H14N2O4S/c16-12-9(3-4-19-12)15-13(20)14-8-1-2-10-11(7-8)18-6-5-17-10/h1-2,7,9H,3-6H2,(H2,14,15,20)