1-methyl-3-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoylamino]thiourea

Systemtic Name: 1-methyl-3-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoylamino]thiourea Openeye Name: 3-isobutyl-1-methyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]thiourea CAS Name: 1-methyl-3-(2-methylpropyl)-1-[[1-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)ethyl]amino]thiourea IUPAC Name: 1-methyl-3-(2-methylpropyl)-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]thiourea Traditional Name: 3-isobutyl-1-methyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]thiourea Formula: C14H25N5OS MolecularWeight: 311.4462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)NN(C)C(=S)NCC(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)NN(C)C(=S)NCC(C)C

InChI

InChI=1S/C14H25N5OS/c1-9(2)8-15-14(21)19(6)17-13(20)7-12-10(3)16-18(5)11(12)4/h9H,7-8H2,1-6H3,(H,15,21)(H,17,20)