1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-homoveratryl-thiourea Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C24H32N4O2S/c1-29-20-4-3-16(12-21(20)30-2)5-7-25-23(31)26-22-6-8-28(27-22)24-13-17-9-18(14-24)11-19(10-17)15-24/h3-4,6,8,12,17-19H,5,7,9-11,13-15H2,1-2H3,(H2,25,26,27,31)