1-cyclohexyl-3-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-cyclohexyl-3-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-cyclohexyl-3-[[3-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-cyclohexyl-3-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-cyclohexyl-3-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Formula: C14H22N6O4S MolecularWeight: 370.42728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NNC(=S)NC2CCCCC2

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NNC(=S)NC2CCCCC2

InChI

InChI=1S/C14H22N6O4S/c1-24-13-11(20(22)23)9-19(18-13)8-7-12(21)16-17-14(25)15-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,16,21)(H2,15,17,25)