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

Systemtic Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4-diethoxy-benzamide Openeye Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4-diethoxy-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,4-diethoxybenzamide IUPAC Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4-diethoxybenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,4-diethoxy-benzamide Formula: C27H27BrN2O3S MolecularWeight: 539.48388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br)OCC

InChI

InChI=1S/C27H27BrN2O3S/c1-3-32-23-14-11-19(17-24(23)33-4-2)27(31)29-15-16-34-26-21-7-5-6-8-22(21)30-25(26)18-9-12-20(28)13-10-18/h5-14,17,30H,3-4,15-16H2,1-2H3,(H,29,31)