1-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-cyclohexyl-thiourea

Systemtic Name: 1-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-3-cyclohexyl-thiourea Openeye Name: 1-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-3-cyclohexyl-thiourea CAS Name: 1-[[[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-3-cyclohexylthiourea IUPAC Name: 1-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-3-cyclohexylthiourea Traditional Name: 1-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-3-cyclohexyl-thiourea Formula: C20H26BrN5OS MolecularWeight: 464.42234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NNC(=S)NC3CCCCC3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NNC(=S)NC3CCCCC3)C)Br

InChI

InChI=1S/C20H26BrN5OS/c1-13-18(21)14(2)26(25-13)12-15-7-6-8-16(11-15)19(27)23-24-20(28)22-17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12H2,1-2H3,(H,23,27)(H2,22,24,28)