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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(2-methylpropyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-isobutyl-thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-1-(2-methylpropyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-(2-methylpropyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-isobutyl-thiourea Formula: C13H22BrN5OS MolecularWeight: 376.31568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NN(CC(C)C)C(=S)N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NN(CC(C)C)C(=S)N)C)Br

InChI

InChI=1S/C13H22BrN5OS/c1-8(2)7-19(13(15)21)17-11(20)5-6-18-10(4)12(14)9(3)16-18/h8H,5-7H2,1-4H3,(H2,15,21)(H,17,20)