1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(3-methoxyphenyl)thiourea Openeye Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(3-methoxyphenyl)thiourea CAS Name: 1-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-(3-methoxyphenyl)thiourea IUPAC Name: 1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-1-(3-methoxyphenyl)thiourea Traditional Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(3-methoxyphenyl)thiourea Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NN(C2=CC(=CC=C2)OC)C(=S)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NN(C2=CC(=CC=C2)OC)C(=S)N)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S/c1-9-14(22(24)25)10(2)20(18-9)11(3)15(23)19-21(16(17)27)12-6-5-7-13(8-12)26-4/h5-8,11H,1-4H3,(H2,17,27)(H,19,23)