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

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-(2-methylallyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-(2-methylprop-2-enyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-(2-methylallyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=C)CNC(=S)N/N=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C13H14N4O4S/c1-8(2)5-14-13(22)16-15-6-9-3-11-12(21-7-20-11)4-10(9)17(18)19/h3-4,6H,1,5,7H2,2H3,(H2,14,16,22)/b15-6+