1-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCNC(=S)N/N=C\C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C11H12N4O4S/c1-2-12-11(20)14-13-5-7-3-9-10(19-6-18-9)4-8(7)15(16)17/h3-5H,2,6H2,1H3,(H2,12,14,20)/b13-5-