2-[4-[4-(3-bromanylisoquinolin-1-yl)piperazin-1-yl]cyclohexyl]-1-(1,3-thiazolidin-3-yl)hexadecan-2-amine

Systemtic Name: 2-[4-[4-(3-bromanylisoquinolin-1-yl)piperazin-1-yl]cyclohexyl]-1-(1,3-thiazolidin-3-yl)hexadecan-2-amine Openeye Name: 2-[4-[4-(3-bromo-1-isoquinolyl)piperazin-1-yl]cyclohexyl]-1-thiazolidin-3-yl-hexadecan-2-amine CAS Name: 2-[4-[4-(3-bromo-1-isoquinolinyl)-1-piperazinyl]cyclohexyl]-1-(3-thiazolidinyl)-2-hexadecanamine IUPAC Name: 2-[4-[4-(3-bromoisoquinolin-1-yl)piperazin-1-yl]cyclohexyl]-1-(1,3-thiazolidin-3-yl)hexadecan-2-amine Traditional Name: [1-[4-[4-(3-bromo-1-isoquinolyl)piperazino]cyclohexyl]-1-(thiazolidin-3-ylmethyl)pentadecyl]amine Formula: C38H62BrN5S MolecularWeight: 700.90138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CN1CCSC1)(C2CCC(CC2)N3CCN(CC3)C4=NC(=CC5=CC=CC=C54)Br)N

Isomeric SMILES

CCCCCCCCCCCCCCC(CN1CCSC1)(C2CCC(CC2)N3CCN(CC3)C4=NC(=CC5=CC=CC=C54)Br)N

InChI

InChI=1S/C38H62BrN5S/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-38(40,30-42-27-28-45-31-42)33-18-20-34(21-19-33)43-23-25-44(26-24-43)37-35-17-14-13-16-32(35)29-36(39)41-37/h13-14,16-17,29,33-34H,2-12,15,18-28,30-31,40H2,1H3