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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C20H30N4O2S/c1-4-15(5-2)16-23-24-18(27-16)21-17(26)19-7-13-6-14(8-19)10-20(9-13,11-19)22-12(3)25/h13-15H,4-11H2,1-3H3,(H,22,25)(H,21,24,26)/t13-,14+,19?,20?