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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=S)N)NC(=O)CCN1C(=C(C(=N1)C)Br)C

Isomeric SMILES

CCCCN(C(=S)N)NC(=O)CCN1C(=C(C(=N1)C)Br)C

InChI

InChI=1S/C13H22BrN5OS/c1-4-5-7-19(13(15)21)17-11(20)6-8-18-10(3)12(14)9(2)16-18/h4-8H2,1-3H3,(H2,15,21)(H,17,20)