1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4-methylphenyl)sulfanyl-propan-2-ol

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4-methylphenyl)sulfanyl-propan-2-ol Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(p-tolylsulfanyl)propan-2-ol CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(4-methylphenyl)thio]-2-propanol IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(4-methylphenyl)sulfanylpropan-2-ol Traditional Name: 1-(homoveratrylamino)-3-(p-tolylthio)propan-2-ol Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CNCCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(CNCCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C20H27NO3S/c1-15-4-7-18(8-5-15)25-14-17(22)13-21-11-10-16-6-9-19(23-2)20(12-16)24-3/h4-9,12,17,21-22H,10-11,13-14H2,1-3H3