ethyl 4-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-(1-adamantyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]benzoate Traditional Name: 4-[[1-(1-adamantyl)pyrazol-3-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-2-29-21(28)18-3-5-19(6-4-18)24-22(30)25-20-7-8-27(26-20)23-12-15-9-16(13-23)11-17(10-15)14-23/h3-8,15-17H,2,9-14H2,1H3,(H2,24,25,26,30)