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

Systemtic Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(3-methoxyphenyl)thiourea Openeye Name: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-1-(3-methoxyphenyl)thiourea CAS Name: 1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-(3-methoxyphenyl)thiourea IUPAC Name: 1-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-1-(3-methoxyphenyl)thiourea Traditional Name: 1-[3-(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(=NN1CCC(=O)NN(C2=CC(=CC=C2)OC)C(=S)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NN(C2=CC(=CC=C2)OC)C(=S)N)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S/c1-10-15(22(24)25)11(2)20(18-10)8-7-14(23)19-21(16(17)27)12-5-4-6-13(9-12)26-3/h4-6,9H,7-8H2,1-3H3,(H2,17,27)(H,19,23)