6-[isothiocyanato(phenyl)methyl]undecane-1,4,8,11-tetramine

Systemtic Name: 6-[isothiocyanato(phenyl)methyl]undecane-1,4,8,11-tetramine Openeye Name: 6-[isothiocyanato(phenyl)methyl]undecane-1,4,8,11-tetramine CAS Name: 6-[isothiocyanato(phenyl)methyl]undecane-1,4,8,11-tetramine IUPAC Name: 6-[isothiocyanato(phenyl)methyl]undecane-1,4,8,11-tetramine Traditional Name: [5,8-diamino-1-(3-aminopropyl)-3-[isothiocyanato(phenyl)methyl]octyl]amine Formula: C19H33N5S MolecularWeight: 363.56382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CC(CCCN)N)CC(CCCN)N)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)C(C(CC(CCCN)N)CC(CCCN)N)N=C=S

InChI

InChI=1S/C19H33N5S/c20-10-4-8-17(22)12-16(13-18(23)9-5-11-21)19(24-14-25)15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-13,20-23H2