methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-(1-adamantyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(1-adamantyl)pyrazol-3-yl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H30N4O2S2 MolecularWeight: 458.6399

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C23H30N4O2S2/c1-4-17-13(2)31-20(19(17)21(28)29-3)25-22(30)24-18-5-6-27(26-18)23-10-14-7-15(11-23)9-16(8-14)12-23/h5-6,14-16H,4,7-12H2,1-3H3,(H2,24,25,26,30)