1-cyclohexyl-3-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-cyclohexyl-3-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-cyclohexyl-3-[[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-cyclohexyl-3-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]thiourea Traditional Name: 1-cyclohexyl-3-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NC3CCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NC3CCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H29N5O3S/c1-32-21-14-13-17(15-22(21)33-2)23-20(16-30(29-23)19-11-7-4-8-12-19)24(31)27-28-25(34)26-18-9-5-3-6-10-18/h4,7-8,11-16,18H,3,5-6,9-10H2,1-2H3,(H,27,31)(H2,26,28,34)