4-(1,3-dithian-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-(3,4,5-trimethoxybenzyl)benzamide Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H25NO4S2/c1-24-17-11-14(12-18(25-2)19(17)26-3)13-22-20(23)15-5-7-16(8-6-15)21-27-9-4-10-28-21/h5-8,11-12,21H,4,9-10,13H2,1-3H3,(H,22,23)