1,2-bis(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine

Systemtic Name: 1,2-bis(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine Openeye Name: 1,2-bis(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine CAS Name: 1,2-bis(3,4-dimethoxyphenyl)-N-[2-(phenylthio)ethyl]ethanamine IUPAC Name: 1,2-bis(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine Traditional Name: 1,2-bis(3,4-dimethoxyphenyl)ethyl-[2-(phenylthio)ethyl]amine Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C2=CC(=C(C=C2)OC)OC)NCCSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C2=CC(=C(C=C2)OC)OC)NCCSC3=CC=CC=C3)OC

InChI

InChI=1S/C26H31NO4S/c1-28-23-12-10-19(17-25(23)30-3)16-22(20-11-13-24(29-2)26(18-20)31-4)27-14-15-32-21-8-6-5-7-9-21/h5-13,17-18,22,27H,14-16H2,1-4H3