1-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-3-(3-morpholinopropyl)thiourea CAS Name: 1-[[2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[[2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]-3-(3-morpholinopropyl)thiourea Formula: C16H27N7O4S MolecularWeight: 413.49508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)NNC(=S)NCCCN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)NNC(=S)NCCCN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H27N7O4S/c1-12(11-22-13(2)10-14(20-22)23(25)26)15(24)18-19-16(28)17-4-3-5-21-6-8-27-9-7-21/h10,12H,3-9,11H2,1-2H3,(H,18,24)(H2,17,19,28)