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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(3-chlorophenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(3-chlorophenyl)thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-1-(3-chlorophenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1-(3-chlorophenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-1-(3-chlorophenyl)thiourea Formula: C15H17BrClN5OS MolecularWeight: 430.75038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrClN5OS/c1-9-14(16)10(2)21(19-9)7-6-13(23)20-22(15(18)24)12-5-3-4-11(17)8-12/h3-5,8H,6-7H2,1-2H3,(H2,18,24)(H,20,23)