1-(3-methoxyphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]thiourea Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4S/c1-24-12-4-2-3-10(7-12)16-14(25)18-17-13(21)5-6-19-9-11(8-15-19)20(22)23/h2-4,7-9H,5-6H2,1H3,(H,17,21)(H2,16,18,25)