1-[(2S)-2-ethylhexyl]-3-[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C19H27N5OS/c1-3-5-9-14(4-2)13-20-19(26)24-23-18(25)17-12-16(21-22-17)15-10-7-6-8-11-15/h6-8,10-12,14H,3-5,9,13H2,1-2H3,(H,21,22)(H,23,25)(H2,20,24,26)/t14-/m0/s1