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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NNC(=S)NCCCN2CCOCC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NNC(=S)NCCCN2CCOCC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H27N7O4S/c1-12-15(23(25)26)13(2)22(20-12)7-4-14(24)18-19-16(28)17-5-3-6-21-8-10-27-11-9-21/h3-11H2,1-2H3,(H,18,24)(H2,17,19,28)