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

Systemtic Name: ethyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-(1-adamantyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(1-adamantyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H32N4O2S2 MolecularWeight: 520.70928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N4O2S2/c1-3-34-26(33)24-23(21-7-5-4-6-8-21)17(2)36-25(24)30-27(35)29-22-9-10-32(31-22)28-14-18-11-19(15-28)13-20(12-18)16-28/h4-10,18-20H,3,11-16H2,1-2H3,(H2,29,30,31,35)