2-methyl-3-[2-[[3-methyl-1-(2-piperidin-1-ylethylamino)-3-sulfanyl-butan-2-yl]amino]ethylamino]-4-(2-piperidin-1-ylethylamino)butane-2-thiol

Systemtic Name: 2-methyl-3-[2-[[3-methyl-1-(2-piperidin-1-ylethylamino)-3-sulfanyl-butan-2-yl]amino]ethylamino]-4-(2-piperidin-1-ylethylamino)butane-2-thiol Openeye Name: 2-methyl-3-[2-[[2-methyl-1-[[2-(1-piperidyl)ethylamino]methyl]-2-sulfanyl-propyl]amino]ethylamino]-4-[2-(1-piperidyl)ethylamino]butane-2-thiol CAS Name: 3-[2-[[3-mercapto-3-methyl-1-[2-(1-piperidinyl)ethylamino]butan-2-yl]amino]ethylamino]-2-methyl-4-[2-(1-piperidinyl)ethylamino]-2-butanethiol IUPAC Name: 2-methyl-3-[2-[[3-methyl-1-(2-piperidin-1-ylethylamino)-3-sulfanylbutan-2-yl]amino]ethylamino]-4-(2-piperidin-1-ylethylamino)butane-2-thiol Traditional Name: 3-[2-[[2-mercapto-2-methyl-1-[(2-piperidinoethylamino)methyl]propyl]amino]ethylamino]-2-methyl-4-(2-piperidinoethylamino)butane-2-thiol Formula: C26H56N6S2 MolecularWeight: 516.89304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CNCCN1CCCCC1)NCCNC(CNCCN2CCCCC2)C(C)(C)S)S

Isomeric SMILES

CC(C)(C(CNCCN1CCCCC1)NCCNC(CNCCN2CCCCC2)C(C)(C)S)S

InChI

InChI=1S/C26H56N6S2/c1-25(2,33)23(21-27-13-19-31-15-7-5-8-16-31)29-11-12-30-24(26(3,4)34)22-28-14-20-32-17-9-6-10-18-32/h23-24,27-30,33-34H,5-22H2,1-4H3