N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,5-dimethoxy-benzamide Openeye Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,5-dimethoxy-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,5-dimethoxybenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,5-dimethoxy-benzamide Formula: C25H23BrN2O3S MolecularWeight: 511.43072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C25H23BrN2O3S/c1-30-19-13-17(14-20(15-19)31-2)25(29)27-11-12-32-24-21-5-3-4-6-22(21)28-23(24)16-7-9-18(26)10-8-16/h3-10,13-15,28H,11-12H2,1-2H3,(H,27,29)