2-[3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]propyl]guanidine; sulfuric acid

Systemtic Name: 2-[3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]propyl]guanidine; sulfuric acid Openeye Name: 2-[3-[(4-isopentyloxyphenyl)methylsulfanyl]propyl]guanidine; sulfuric acid CAS Name: 2-[3-[[4-(3-methylbutoxy)phenyl]methylthio]propyl]guanidine; sulfuric acid IUPAC Name: 2-[3-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]propyl]guanidine; sulfuric acid Traditional Name: 2-[3-[(4-isoamoxybenzyl)thio]propyl]guanidine; sulfuric acid Formula: C32H56N6O6S3 MolecularWeight: 717.01864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)CSCCCN=C(N)N.CC(C)CCOC1=CC=C(C=C1)CSCCCN=C(N)N.OS(=O)(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)CSCCCN=C(N)N.CC(C)CCOC1=CC=C(C=C1)CSCCCN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/2C16H27N3OS.H2O4S/c2*1-13(2)8-10-20-15-6-4-14(5-7-15)12-21-11-3-9-19-16(17)18;1-5(2,3)4/h2*4-7,13H,3,8-12H2,1-2H3,(H4,17,18,19);(H2,1,2,3,4)