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

Systemtic Name: S-(phenylmethyl) N-[(3R,5S)-3,5-dimethyl-1-adamantyl]carbamothioate Openeye Name: S-benzyl N-[(3R,5S)-3,5-dimethyl-1-adamantyl]carbamothioate CAS Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[(3R,5S)-3,5-dimethyl-1-adamantyl]carbamothioate Traditional Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]thiocarbamic acid S-benzyl ester Formula: C20H27NOS MolecularWeight: 329.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC(=O)SCC4=CC=CC=C4)C

InChI

InChI=1S/C20H27NOS/c1-18-8-16-9-19(2,12-18)14-20(10-16,13-18)21-17(22)23-11-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,21,22)/t16?,18-,19+,20?