1-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[3-(5-methyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C15H26N7O4S+ MolecularWeight: 400.47644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NNC(=S)NCCC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NNC(=S)NCCC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H25N7O4S/c1-12-11-13(22(24)25)19-21(12)6-3-14(23)17-18-15(27)16-4-2-5-20-7-9-26-10-8-20/h11H,2-10H2,1H3,(H,17,23)(H2,16,18,27)/p+1