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

Systemtic Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-butoxy-benzamide Openeye Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-butoxy-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-4-butoxybenzamide IUPAC Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-butoxybenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-4-butoxy-benzamide Formula: C27H27BrN2O2S MolecularWeight: 523.48448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H27BrN2O2S/c1-2-3-17-32-22-14-10-20(11-15-22)27(31)29-16-18-33-26-23-6-4-5-7-24(23)30-25(26)19-8-12-21(28)13-9-19/h4-15,30H,2-3,16-18H2,1H3,(H,29,31)