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

Systemtic Name: 1-[(1S,2R)-2-methylcyclohexyl]-3-[(4-oxidanyl-1-phenyl-pyrazol-3-yl)carbonylamino]thiourea Openeye Name: 1-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea CAS Name: 1-[[(4-hydroxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea IUPAC Name: 1-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea Traditional Name: 1-[(4-hydroxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-12-7-5-6-10-14(12)19-18(26)21-20-17(25)16-15(24)11-23(22-16)13-8-3-2-4-9-13/h2-4,8-9,11-12,14,24H,5-7,10H2,1H3,(H,20,25)(H2,19,21,26)/t12-,14+/m1/s1