1-[(2R)-2-ethylhexyl]-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[(2R)-2-ethylhexyl]-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-[(2R)-2-ethylhexyl]-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea CAS Name: 1-[(2R)-2-ethylhexyl]-3-[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2R)-2-ethylhexyl]-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea Traditional Name: 1-[(2R)-2-ethylhexyl]-3-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]thiourea Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)C1=NN(C=C1O)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@@H](CC)CNC(=S)NNC(=O)C1=NN(C=C1O)C2=CC=CC=C2

InChI

InChI=1S/C19H27N5O2S/c1-3-5-9-14(4-2)12-20-19(27)22-21-18(26)17-16(25)13-24(23-17)15-10-7-6-8-11-15/h6-8,10-11,13-14,25H,3-5,9,12H2,1-2H3,(H,21,26)(H2,20,22,27)/t14-/m1/s1