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

Systemtic Name: S-(phenylmethyl) N-[(5S,7R)-3-methyl-1-adamantyl]carbamothioate Openeye Name: S-benzyl N-[(5S,7R)-3-methyl-1-adamantyl]carbamothioate CAS Name: N-[(5S,7R)-3-methyl-1-adamantyl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[(5S,7R)-3-methyl-1-adamantyl]carbamothioate Traditional Name: N-[(5S,7R)-3-methyl-1-adamantyl]thiocarbamic acid S-benzyl ester Formula: C19H25NOS MolecularWeight: 315.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)NC(=O)SCC4=CC=CC=C4

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)NC(=O)SCC4=CC=CC=C4

InChI

InChI=1S/C19H25NOS/c1-18-8-15-7-16(9-18)11-19(10-15,13-18)20-17(21)22-12-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,20,21)/t15-,16+,18?,19?