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

Systemtic Name: 1-butyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-butyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c1-2-3-4-14-13(22)16-15-7-9-5-11-12(21-8-20-11)6-10(9)17(18)19/h5-7H,2-4,8H2,1H3,(H2,14,16,22)