1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-isopentyl-thiourea CAS Name: 1-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-isoamyl-thiourea Formula: C18H25N5OS MolecularWeight: 359.489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C18H25N5OS/c1-12(2)10-11-19-18(25)21-20-17(24)16-13(3)22-23(14(16)4)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3,(H,20,24)(H2,19,21,25)