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8XY

Summary
Name:6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
Formula:C17 H11 Br N2 O S
Formal charge:0
Formula weight:371.251 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
OpenEye OEToolkits2.0.66-bromanyl-~{N}-(1~{H}-indol-4-yl)-1-benzothiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4c3cc(C(Nc1cccc2nccc12)=O)sc3cc(Br)c4
InChIInChI1.03InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
InChIKeyInChI1.03REBSMDZUSJUELV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Brc1ccc2cc(sc2c1)C(=O)Nc3cccc4[nH]ccc34
SMILESCACTVS3.385Brc1ccc2cc(sc2c1)C(=O)Nc3cccc4[nH]ccc34
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br

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건을2024-07-17부터공개중

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