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

Systemtic Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]thiourea Openeye Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea CAS Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]amino]thiourea IUPAC Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea Traditional Name: 1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5OS/c1-12-7-6-10-15(13(12)2)20-19(26)24-23-18(25)17-11-16(21-22-17)14-8-4-3-5-9-14/h3-5,8-9,11-13,15H,6-7,10H2,1-2H3,(H,21,22)(H,23,25)(H2,20,24,26)/t12-,13+,15+/m0/s1