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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-phenyl-thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-phenyl-thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-1-phenylthiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-phenylthiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-phenyl-thiourea Formula: C15H18BrN5OS MolecularWeight: 396.30532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN5OS/c1-10-14(16)11(2)20(18-10)9-8-13(22)19-21(15(17)23)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H2,17,23)(H,19,22)