(3S,5R)-3,5-dimethyl-N-[(4-methylsulfanylphenyl)methyl]adamantan-1-amine

Systemtic Name: (3S,5R)-3,5-dimethyl-N-[(4-methylsulfanylphenyl)methyl]adamantan-1-amine Openeye Name: (3S,5R)-3,5-dimethyl-N-[(4-methylsulfanylphenyl)methyl]adamantan-1-amine CAS Name: (3S,5R)-3,5-dimethyl-N-[[4-(methylthio)phenyl]methyl]-1-adamantanamine IUPAC Name: (3S,5R)-3,5-dimethyl-N-[(4-methylsulfanylphenyl)methyl]adamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[4-(methylthio)benzyl]amine Formula: C20H29NS MolecularWeight: 315.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC=C(C=C4)SC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=CC=C(C=C4)SC)C

InChI

InChI=1S/C20H29NS/c1-18-8-16-9-19(2,12-18)14-20(10-16,13-18)21-11-15-4-6-17(22-3)7-5-15/h4-7,16,21H,8-14H2,1-3H3/t16?,18-,19+,20?