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

Systemtic Name: 1-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-3-(3-morpholinopropyl)thiourea CAS Name: 1-[[2-methyl-3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-3-(3-morpholinopropyl)thiourea Formula: C15H25N7O4S MolecularWeight: 399.4685

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NNC(=S)NCCCN2CCOCC2

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NNC(=S)NCCCN2CCOCC2

InChI

InChI=1S/C15H25N7O4S/c1-12(10-21-11-13(9-17-21)22(24)25)14(23)18-19-15(27)16-3-2-4-20-5-7-26-8-6-20/h9,11-12H,2-8,10H2,1H3,(H,18,23)(H2,16,19,27)