1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-nitro-2-furyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-nitro-2-furanyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(5-nitro-2-furyl)methyleneamino]-3-piperonyl-thiourea Formula: C14H12N4O5S MolecularWeight: 348.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N/N=C\C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O5S/c19-18(20)13-4-2-10(23-13)7-16-17-14(24)15-6-9-1-3-11-12(5-9)22-8-21-11/h1-5,7H,6,8H2,(H2,15,17,24)/b16-7-