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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(2-methoxyphenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(2-methoxyphenyl)thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-1-(2-methoxyphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-(2-methoxyphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(2-methoxyphenyl)thiourea Formula: C16H20BrN5O2S MolecularWeight: 426.3313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NN(C2=CC=CC=C2OC)C(=S)N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NN(C2=CC=CC=C2OC)C(=S)N)C)Br

InChI

InChI=1S/C16H20BrN5O2S/c1-10-15(17)11(2)21(19-10)9-8-14(23)20-22(16(18)25)12-6-4-5-7-13(12)24-3/h4-7H,8-9H2,1-3H3,(H2,18,25)(H,20,23)