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

Systemtic Name: methyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3S/c1-3-19-13-20(24(29)30-2)23(31-19)25-21(28)14-26-4-6-27(7-5-26)22-17-9-15-8-16(11-17)12-18(22)10-15/h13,15-18,22H,3-12,14H2,1-2H3,(H,25,28)