1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-(tetrahydrofurfuryl)thiourea Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CC(OC1)CNC(=S)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C14H16N4O5S/c19-18(20)11-5-13-12(22-8-23-13)4-9(11)6-16-17-14(24)15-7-10-2-1-3-21-10/h4-6,10H,1-3,7-8H2,(H2,15,17,24)/b16-6+