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

Systemtic Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4,5-triethoxy-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3,4,5-triethoxybenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-3,4,5-triethoxy-benzamide Formula: C29H31BrN2O4S MolecularWeight: 583.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H31BrN2O4S/c1-4-34-24-17-20(18-25(35-5-2)27(24)36-6-3)29(33)31-15-16-37-28-22-9-7-8-10-23(22)32-26(28)19-11-13-21(30)14-12-19/h7-14,17-18,32H,4-6,15-16H2,1-3H3,(H,31,33)