4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2,3-dihydrothiochromene-4-carbonitrile

Systemtic Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-2,3-dihydrothiochromene-4-carbonitrile Openeye Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]thiochromane-4-carbonitrile CAS Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-2,3-dihydro-1-benzothiopyran-4-carbonitrile IUPAC Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-2,3-dihydrothiochromene-4-carbonitrile Traditional Name: 4-[3-[homoveratryl(methyl)amino]propyl]thiochroman-4-carbonitrile Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1(CCSC2=CC=CC=C21)C#N)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCC1(CCSC2=CC=CC=C21)C#N)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H30N2O2S/c1-26(15-11-19-9-10-21(27-2)22(17-19)28-3)14-6-12-24(18-25)13-16-29-23-8-5-4-7-20(23)24/h4-5,7-10,17H,6,11-16H2,1-3H3