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OND

Summary
Name:4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
Formula:C21 H17 N3 O2 S2
Formal charge:0
Formula weight:407.509 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
OpenEye OEToolkits2.0.74-[5-[(2-aminophenyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(N)(c4cc3c(c1ccc(s1)C(NCc2c(cccc2)N)=O)cccc3s4)=O
InChIInChI1.03InChI=1S/C21H17N3O2S2/c22-15-6-2-1-4-12(15)11-24-21(26)18-9-8-17(27-18)13-5-3-7-16-14(13)10-19(28-16)20(23)25/h1-10H,11,22H2,(H2,23,25)(H,24,26)
InChIKeyInChI1.03UQZFCZAYARDQIK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccccc4N)c2c1
SMILESCACTVS3.385NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NCc4ccccc4N)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N

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PDB entries from 2024-07-17

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