methyl 3-[[4-(1-adamantyl)piperazin-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(1-adamantyl)piperazin-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(1-adamantyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(1-adamantyl)-1-piperazinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(1-adamantyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(1-adamantyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N3O3S/c1-27-19(25)18-17(2-7-28-18)22-20(26)23-3-5-24(6-4-23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2,7,14-16H,3-6,8-13H2,1H3,(H,22,26)