1-(2,5-dimethoxyphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]thiourea

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]thiourea Openeye Name: 1-(2,5-dimethoxyphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]thiourea CAS Name: 1-(2,5-dimethoxyphenyl)-3-[[2-(4-nitrophenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]thiourea Traditional Name: 1-(2,5-dimethoxyphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]thiourea Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=C(C=CC(=C1)OC)OC)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NNC(=S)NC1=C(C=CC(=C1)OC)OC)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-11(28-13-6-4-12(5-7-13)22(24)25)17(23)20-21-18(29)19-15-10-14(26-2)8-9-16(15)27-3/h4-11H,1-3H3,(H,20,23)(H2,19,21,29)