1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-p-phenetyl-thiourea Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

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