(5S,7R)-3-acetamido-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C20H27N3O2S MolecularWeight: 373.51228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC5=C(S4)CCCC5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC4=NC5=C(S4)CCCC5

InChI

InChI=1S/C20H27N3O2S/c1-12(24)23-20-9-13-6-14(10-20)8-19(7-13,11-20)17(25)22-18-21-15-4-2-3-5-16(15)26-18/h13-14H,2-11H2,1H3,(H,23,24)(H,21,22,25)/t13-,14+,19?,20?