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

Systemtic Name: (5S,7R)-3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C19H28N4O2S/c1-11(2)4-15-22-23-17(26-15)20-16(25)18-6-13-5-14(7-18)9-19(8-13,10-18)21-12(3)24/h11,13-14H,4-10H2,1-3H3,(H,21,24)(H,20,23,25)/t13-,14+,18?,19?