ethyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H37N3O3S MolecularWeight: 459.64458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OCC

InChI

InChI=1S/C25H37N3O3S/c1-3-20-14-21(25(30)31-4-2)24(32-20)26-22(29)15-27-5-7-28(8-6-27)23-18-10-16-9-17(12-18)13-19(23)11-16/h14,16-19,23H,3-13,15H2,1-2H3,(H,26,29)