(6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H17N3O6S/c19-18(20-13-1-2-15-16(7-13)26-4-3-25-15)28-9-12-6-14(21(22)23)5-11-8-24-10-27-17(11)12/h1-2,5-7H,3-4,8-10H2,(H2,19,20)