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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NNC(=S)NCC(C)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NNC(=S)NCC(C)C)C)Br

InChI

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