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

Systemtic Name: ethyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H36N4O4S/c1-3-33-25(32)20-14(2)22(23(26)31)34-24(20)27-19(30)13-28-4-6-29(7-5-28)21-17-9-15-8-16(11-17)12-18(21)10-15/h15-18,21H,3-13H2,1-2H3,(H2,26,31)(H,27,30)