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

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-ethylphenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-ethylphenyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-ethylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-ethylphenyl)thiourea Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4S/c1-2-15-3-5-19(6-4-15)23-21(27)24-20-7-8-26(25-20)22-12-16-9-17(13-22)11-18(10-16)14-22/h3-8,16-18H,2,9-14H2,1H3,(H2,23,24,25,27)