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

Systemtic Name: propan-2-yl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C26H38N4O4S MolecularWeight: 502.66932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)N

InChI

InChI=1S/C26H38N4O4S/c1-14(2)34-26(33)21-15(3)23(24(27)32)35-25(21)28-20(31)13-29-4-6-30(7-5-29)22-18-9-16-8-17(11-18)12-19(22)10-16/h14,16-19,22H,4-13H2,1-3H3,(H2,27,32)(H,28,31)