S-ethyl (3S)-3-[[(2S,6S)-2,6-diphenylpiperidin-1-yl]amino]-2-methyl-pentanethioate

Systemtic Name: S-ethyl (3S)-3-[[(2S,6S)-2,6-diphenylpiperidin-1-yl]amino]-2-methyl-pentanethioate Openeye Name: S-ethyl (3S)-3-[[(2S,6S)-2,6-diphenyl-1-piperidyl]amino]-2-methyl-pentanethioate CAS Name: (3S)-3-[[(2S,6S)-2,6-diphenyl-1-piperidinyl]amino]-2-methylpentanethioic acid S-ethyl ester IUPAC Name: S-ethyl (3S)-3-[[(2S,6S)-2,6-diphenylpiperidin-1-yl]amino]-2-methylpentanethioate Traditional Name: (3S)-3-[[(2S,6S)-2,6-diphenylpiperidino]amino]-2-methyl-pentanethioic acid S-ethyl ester Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)SCC)NN1C(CCCC1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(C)C(=O)SCC)NN1[C@@H](CCC[C@H]1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H34N2OS/c1-4-22(19(3)25(28)29-5-2)26-27-23(20-13-8-6-9-14-20)17-12-18-24(27)21-15-10-7-11-16-21/h6-11,13-16,19,22-24,26H,4-5,12,17-18H2,1-3H3/t19?,22-,23-,24-/m0/s1