6-[4-(2-isothiocyanato-4,7-dimethyl-octan-2-yl)-2-methyl-phenoxy]-N-methyl-N-prop-2-enyl-hexan-1-amine

Systemtic Name: 6-[4-(2-isothiocyanato-4,7-dimethyl-octan-2-yl)-2-methyl-phenoxy]-N-methyl-N-prop-2-enyl-hexan-1-amine Openeye Name: N-allyl-6-[4-(1-isothiocyanato-1,3,6-trimethyl-heptyl)-2-methyl-phenoxy]-N-methyl-hexan-1-amine CAS Name: 6-[4-(2-isothiocyanato-4,7-dimethyloctan-2-yl)-2-methylphenoxy]-N-methyl-N-prop-2-enyl-1-hexanamine IUPAC Name: 6-[4-(2-isothiocyanato-4,7-dimethyloctan-2-yl)-2-methylphenoxy]-N-methyl-N-prop-2-enylhexan-1-amine Traditional Name: allyl-[6-[4-(1-isothiocyanato-1,3,6-trimethyl-heptyl)-2-methyl-phenoxy]hexyl]-methyl-amine Formula: C28H46N2OS MolecularWeight: 458.74264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(CC(C)CCC(C)C)N=C=S)OCCCCCCN(C)CC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(CC(C)CCC(C)C)N=C=S)OCCCCCCN(C)CC=C

InChI

InChI=1S/C28H46N2OS/c1-8-17-30(7)18-11-9-10-12-19-31-27-16-15-26(20-25(27)5)28(6,29-22-32)21-24(4)14-13-23(2)3/h8,15-16,20,23-24H,1,9-14,17-19,21H2,2-7H3