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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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