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

Systemtic Name: (5S,7R)-3-acetamido-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NN=C(S4)SCC=C

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC4=NN=C(S4)SCC=C

InChI

InChI=1S/C18H24N4O2S2/c1-3-4-25-16-22-21-15(26-16)19-14(24)17-6-12-5-13(7-17)9-18(8-12,10-17)20-11(2)23/h3,12-13H,1,4-10H2,2H3,(H,20,23)(H,19,21,24)/t12-,13+,17?,18?