N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-9,9a-dihydro-4aH-xanthene-9-carboxamide

Systemtic Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-9,9a-dihydro-4aH-xanthene-9-carboxamide Openeye Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-9,9a-dihydro-4aH-xanthene-9-carboxamide CAS Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-9,9a-dihydro-4aH-xanthene-9-carboxamide IUPAC Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-9,9a-dihydro-4aH-xanthene-9-carboxamide Traditional Name: N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]thio]ethyl]-9,9a-dihydro-4aH-xanthene-9-carboxamide Formula: C30H25BrN2O2S MolecularWeight: 557.5007

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3C=CC=CC3O2)C(=O)NCCSC4=C(NC5=CC=CC=C54)C6=CC=C(C=C6)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(C3C=CC=CC3O2)C(=O)NCCSC4=C(NC5=CC=CC=C54)C6=CC=C(C=C6)Br

InChI

InChI=1S/C30H25BrN2O2S/c31-20-15-13-19(14-16-20)28-29(21-7-1-4-10-24(21)33-28)36-18-17-32-30(34)27-22-8-2-5-11-25(22)35-26-12-6-3-9-23(26)27/h1-16,22,25,27,33H,17-18H2,(H,32,34)