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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(2,5-dimethylphenyl)thiourea Formula: C17H22BrN5OS MolecularWeight: 424.35848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C17H22BrN5OS/c1-10-5-6-11(2)14(9-10)19-17(25)21-20-15(24)7-8-23-13(4)16(18)12(3)22-23/h5-6,9H,7-8H2,1-4H3,(H,20,24)(H2,19,21,25)