(5S,7R)-3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(5-amyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C20H30N4O2S/c1-3-4-5-6-16-23-24-18(27-16)21-17(26)19-8-14-7-15(9-19)11-20(10-14,12-19)22-13(2)25/h14-15H,3-12H2,1-2H3,(H,22,25)(H,21,24,26)/t14-,15+,19?,20?