2-[[1-propan-2-yl-5-(2-sulfanylethylamino)azepan-4-yl]amino]ethanethiol

Systemtic Name: 2-[[1-propan-2-yl-5-(2-sulfanylethylamino)azepan-4-yl]amino]ethanethiol Openeye Name: 2-[[1-isopropyl-5-(2-sulfanylethylamino)azepan-4-yl]amino]ethanethiol CAS Name: 2-[[5-(2-mercaptoethylamino)-1-propan-2-yl-4-azepanyl]amino]ethanethiol IUPAC Name: 2-[[1-propan-2-yl-5-(2-sulfanylethylamino)azepan-4-yl]amino]ethanethiol Traditional Name: 2-[[1-isopropyl-5-(2-mercaptoethylamino)azepan-4-yl]amino]ethanethiol Formula: C13H29N3S2 MolecularWeight: 291.51946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(C(CC1)NCCS)NCCS

Isomeric SMILES

CC(C)N1CCC(C(CC1)NCCS)NCCS

InChI

InChI=1S/C13H29N3S2/c1-11(2)16-7-3-12(14-5-9-17)13(4-8-16)15-6-10-18/h11-15,17-18H,3-10H2,1-2H3