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

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-benzyl-3-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]thiourea Formula: C16H20BrN5OS MolecularWeight: 410.3319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NNC(=S)NCC2=CC=CC=C2)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NNC(=S)NCC2=CC=CC=C2)C)Br

InChI

InChI=1S/C16H20BrN5OS/c1-11-15(17)12(2)22(21-11)9-8-14(23)19-20-16(24)18-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,19,23)(H2,18,20,24)