S-methyl N-[(5R,7R)-3-ethyl-1-adamantyl]carbamothioate

Systemtic Name: S-methyl N-[(5R,7R)-3-ethyl-1-adamantyl]carbamothioate Openeye Name: S-methyl N-[(5R,7R)-3-ethyl-1-adamantyl]carbamothioate CAS Name: N-[(5R,7R)-3-ethyl-1-adamantyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[(5R,7R)-3-ethyl-1-adamantyl]carbamothioate Traditional Name: N-[(5R,7R)-3-ethyl-1-adamantyl]thiocarbamic acid S-methyl ester Formula: C14H23NOS MolecularWeight: 253.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12CC3CC(C1)CC(C3)(C2)NC(=O)SC

Isomeric SMILES

CCC12C[C@H]3C[C@H](C1)CC(C3)(C2)NC(=O)SC

InChI

InChI=1S/C14H23NOS/c1-3-13-5-10-4-11(6-13)8-14(7-10,9-13)15-12(16)17-2/h10-11H,3-9H2,1-2H3,(H,15,16)/t10-,11-,13?,14?/m1/s1