4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethyl-hexan-1-amine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethyl-hexan-1-amine Openeye Name: 4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethyl-hexan-1-amine CAS Name: 4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethyl-1-hexanamine IUPAC Name: 4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(isothiocyanatomethyl)-N,5-dimethylhexan-1-amine Traditional Name: [4-(3,4-dimethoxyphenyl)-4-(isothiocyanatomethyl)-5-methyl-hexyl]-homoveratryl-methyl-amine Formula: C28H40N2O4S MolecularWeight: 500.6932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(CN=C=S)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(CN=C=S)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C28H40N2O4S/c1-21(2)28(19-29-20-35,23-10-12-25(32-5)27(18-23)34-7)14-8-15-30(3)16-13-22-9-11-24(31-4)26(17-22)33-6/h9-12,17-18,21H,8,13-16,19H2,1-7H3