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

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C20H22BrNO3S2 MolecularWeight: 468.42758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)C3SCCS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)C3SCCS3)Br)OC

InChI

InChI=1S/C20H22BrNO3S2/c1-24-17-11-15(16(21)12-18(17)25-2)7-8-22-19(23)13-3-5-14(6-4-13)20-26-9-10-27-20/h3-6,11-12,20H,7-10H2,1-2H3,(H,22,23)