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

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Openeye Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C13H16N4O5S MolecularWeight: 340.35494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](COC)NC(=S)N/N=C\C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C13H16N4O5S/c1-8(6-20-2)15-13(23)16-14-5-9-3-11-12(22-7-21-11)4-10(9)17(18)19/h3-5,8H,6-7H2,1-2H3,(H2,15,16,23)/b14-5-/t8-/m1/s1