1-[3-(octadecylcarbamothioylamino)propyl]-4-[3-(2-sulfosulfanylethylamino)propyl]piperazine

Systemtic Name: 1-[3-(octadecylcarbamothioylamino)propyl]-4-[3-(2-sulfosulfanylethylamino)propyl]piperazine Openeye Name: 1-[3-(octadecylcarbamothioylamino)propyl]-4-[3-(2-sulfosulfanylethylamino)propyl]piperazine CAS Name: 1-[3-[[(octadecylamino)-sulfanylidenemethyl]amino]propyl]-4-[3-[2-(sulfothio)ethylamino]propyl]piperazine IUPAC Name: 1-[3-(octadecylcarbamothioylamino)propyl]-4-[3-(2-sulfosulfanylethylamino)propyl]piperazine Traditional Name: 1-[3-(stearylthiocarbamoylamino)propyl]-4-[3-[2-(sulfothio)ethylamino]propyl]piperazine Formula: C31H65N5O3S3 MolecularWeight: 652.0745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NCCCN1CCN(CC1)CCCNCCSS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NCCCN1CCN(CC1)CCCNCCSS(=O)(=O)O

InChI

InChI=1S/C31H65N5O3S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-31(40)34-22-19-25-36-28-26-35(27-29-36)24-18-20-32-23-30-41-42(37,38)39/h32H,2-30H2,1H3,(H2,33,34,40)(H,37,38,39)