2-methyl-1-[[(2S)-2-[(2-methyl-2-sulfanyl-propyl)amino]-3-(4-phenylpiperidin-1-yl)propyl]amino]propane-2-thiol

Systemtic Name: 2-methyl-1-[[(2S)-2-[(2-methyl-2-sulfanyl-propyl)amino]-3-(4-phenylpiperidin-1-yl)propyl]amino]propane-2-thiol Openeye Name: 2-methyl-1-[[(2S)-2-[(2-methyl-2-sulfanyl-propyl)amino]-3-(4-phenyl-1-piperidyl)propyl]amino]propane-2-thiol CAS Name: 1-[[(2S)-2-[(2-mercapto-2-methylpropyl)amino]-3-(4-phenyl-1-piperidinyl)propyl]amino]-2-methyl-2-propanethiol IUPAC Name: 2-methyl-1-[[(2S)-2-[(2-methyl-2-sulfanylpropyl)amino]-3-(4-phenylpiperidin-1-yl)propyl]amino]propane-2-thiol Traditional Name: 1-[[(2S)-2-[(2-mercapto-2-methyl-propyl)amino]-3-(4-phenylpiperidino)propyl]amino]-2-methyl-propane-2-thiol Formula: C22H39N3S2 MolecularWeight: 409.69516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCC(CN1CCC(CC1)C2=CC=CC=C2)NCC(C)(C)S)S

Isomeric SMILES

CC(C)(CNC[C@@H](CN1CCC(CC1)C2=CC=CC=C2)NCC(C)(C)S)S

InChI

InChI=1S/C22H39N3S2/c1-21(2,26)16-23-14-20(24-17-22(3,4)27)15-25-12-10-19(11-13-25)18-8-6-5-7-9-18/h5-9,19-20,23-24,26-27H,10-17H2,1-4H3/t20-/m0/s1