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

Systemtic Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,4,5-trimethoxy-benzamide Formula: C26H25BrN2O4S MolecularWeight: 541.4567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN2O4S/c1-31-21-14-17(15-22(32-2)24(21)33-3)26(30)28-12-13-34-25-19-6-4-5-7-20(19)29-23(25)16-8-10-18(27)11-9-16/h4-11,14-15,29H,12-13H2,1-3H3,(H,28,30)