N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-(1,3-dithian-2-yl)benzamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-(1,3-dithian-2-yl)benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(1,3-dithian-2-yl)benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(1,3-dithian-2-yl)benzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(1,3-dithian-2-yl)benzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(1,3-dithian-2-yl)benzamide Formula: C21H24BrNO3S2 MolecularWeight: 482.45416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)C3SCCCS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)C3SCCCS3)Br)OC

InChI

InChI=1S/C21H24BrNO3S2/c1-25-18-12-16(17(22)13-19(18)26-2)8-9-23-20(24)14-4-6-15(7-5-14)21-27-10-3-11-28-21/h4-7,12-13,21H,3,8-11H2,1-2H3,(H,23,24)