1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-2-oxidanylideneoxolan-3-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-2-oxidanylideneoxolan-3-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-2-oxotetrahydrofuran-3-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-2-oxo-3-oxolanyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3S)-2-oxooxolan-3-yl]thiourea Traditional Name: 1-[(3S)-2-ketotetrahydrofuran-3-yl]-3-piperonyl-thiourea Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1COC(=O)[C@H]1NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N2O4S/c16-12-9(3-4-17-12)15-13(20)14-6-8-1-2-10-11(5-8)19-7-18-10/h1-2,5,9H,3-4,6-7H2,(H2,14,15,20)/t9-/m0/s1