6-[4-(2-isothiocyanato-7-phenyl-heptan-2-yl)-2-phenyl-phenoxy]-N-methyl-N-prop-2-enyl-hexan-1-amine

Systemtic Name: 6-[4-(2-isothiocyanato-7-phenyl-heptan-2-yl)-2-phenyl-phenoxy]-N-methyl-N-prop-2-enyl-hexan-1-amine Openeye Name: N-allyl-6-[4-(1-isothiocyanato-1-methyl-6-phenyl-hexyl)-2-phenyl-phenoxy]-N-methyl-hexan-1-amine CAS Name: 6-[4-(2-isothiocyanato-7-phenylheptan-2-yl)-2-phenylphenoxy]-N-methyl-N-prop-2-enyl-1-hexanamine IUPAC Name: 6-[4-(2-isothiocyanato-7-phenylheptan-2-yl)-2-phenylphenoxy]-N-methyl-N-prop-2-enylhexan-1-amine Traditional Name: allyl-[6-[4-(1-isothiocyanato-1-methyl-6-phenyl-hexyl)-2-phenyl-phenoxy]hexyl]-methyl-amine Formula: C36H46N2OS MolecularWeight: 554.82824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC1=CC=CC=C1)(C2=CC(=C(C=C2)OCCCCCCN(C)CC=C)C3=CC=CC=C3)N=C=S

Isomeric SMILES

CC(CCCCCC1=CC=CC=C1)(C2=CC(=C(C=C2)OCCCCCCN(C)CC=C)C3=CC=CC=C3)N=C=S

InChI

InChI=1S/C36H46N2OS/c1-4-26-38(3)27-16-5-6-17-28-39-35-24-23-33(29-34(35)32-21-13-8-14-22-32)36(2,37-30-40)25-15-9-12-20-31-18-10-7-11-19-31/h4,7-8,10-11,13-14,18-19,21-24,29H,1,5-6,9,12,15-17,20,25-28H2,2-3H3