1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(3-ethanoylphenyl)thiourea

Systemtic Name: 1-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)thiourea Traditional Name: 1-(3-acetylphenyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

InChI

InChI=1S/C18H24N4OS/c1-13(23)14-7-5-8-15(11-14)20-17(24)21-16(18(2,3)4)12-22-10-6-9-19-22/h5-11,16H,12H2,1-4H3,(H2,20,21,24)