N-(1,3-benzothiazol-2-yl)-2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[1-[(4-bromophenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[1-(4-bromobenzyl)indol-3-yl]thio]acetamide Formula: C24H18BrN3OS2 MolecularWeight: 508.45322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)SCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18BrN3OS2/c25-17-11-9-16(10-12-17)13-28-14-22(18-5-1-3-7-20(18)28)30-15-23(29)27-24-26-19-6-2-4-8-21(19)31-24/h1-12,14H,13,15H2,(H,26,27,29)