[4-chloranylsulfanyl-2-[3-[[(E)-N'-(N'-propan-2-ylcarbamimidoyl)carbamimidoyl]amino]oxypropoxy]phenyl] thiohypochlorite hydrochloride

Systemtic Name: [4-chloranylsulfanyl-2-[3-[[(E)-N'-(N'-propan-2-ylcarbamimidoyl)carbamimidoyl]amino]oxypropoxy]phenyl] thiohypochlorite hydrochloride Openeye Name: [4-chlorosulfanyl-2-[3-[[(E)-N'-(N'-isopropylcarbamimidoyl)carbamimidoyl]amino]oxypropoxy]phenyl] thiohypochlorite hydrochloride CAS Name: thiohypochlorous acid [2-[3-[[(E)-amino-[amino(propan-2-ylimino)methyl]iminomethyl]amino]oxypropoxy]-4-(chlorothio)phenyl] ester hydrochloride IUPAC Name: [4-chlorosulfanyl-2-[3-[[(E)-N'-(N'-propan-2-ylcarbamimidoyl)carbamimidoyl]amino]oxypropoxy]phenyl] thiohypochlorite hydrochloride Traditional Name: thiohypochlorous acid [4-(chlorothio)-2-[3-[[(E)-N'-(N'-isopropylamidino)amidino]amino]oxypropoxy]phenyl] ester hydrochloride Formula: C14H22Cl3N5O2S2 MolecularWeight: 462.84578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(N)N=C(N)NOCCCOC1=C(C=CC(=C1)SCl)SCl.Cl

Isomeric SMILES

CC(C)N=C(N)/N=C(\N)/NOCCCOC1=C(C=CC(=C1)SCl)SCl.Cl

InChI

InChI=1S/C14H21Cl2N5O2S2.ClH/c1-9(2)19-13(17)20-14(18)21-23-7-3-6-22-11-8-10(24-15)4-5-12(11)25-16;/h4-5,8-9H,3,6-7H2,1-2H3,(H5,17,18,19,20,21);1H