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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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