1-(2-methoxyethyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea

Systemtic Name: 1-(2-methoxyethyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-(2-methoxyethyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-(2-methoxyethyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-(2-methoxyethyl)-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O5S/c1-19-3-2-13-12(22)15-14-6-8-4-10-11(21-7-20-10)5-9(8)16(17)18/h4-6H,2-3,7H2,1H3,(H2,13,15,22)/b14-6-