1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4OS/c1-14-3-4-19(27-2)18(7-14)23-21(28)24-20-5-6-26(25-20)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H2,23,24,25,28)