N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dithian-2-yl)-N-methyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dithian-2-yl)-N-methyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dithian-2-yl)-N-methyl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dithian-2-yl)-N-methylbenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3-dithian-2-yl)-N-methylbenzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-homoveratryl-N-methyl-benzamide Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C22H27NO3S2/c1-23(12-11-16-5-10-19(25-2)20(15-16)26-3)21(24)17-6-8-18(9-7-17)22-27-13-4-14-28-22/h5-10,15,22H,4,11-14H2,1-3H3