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

Systemtic Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,5-dimethyl-benzamide Formula: C25H23BrN2OS MolecularWeight: 479.43192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C25H23BrN2OS/c1-16-13-17(2)15-19(14-16)25(29)27-11-12-30-24-21-5-3-4-6-22(21)28-23(24)18-7-9-20(26)10-8-18/h3-10,13-15,28H,11-12H2,1-2H3,(H,27,29)