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OD1

Summary
Name:4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide
Formula:C17 H17 N3 O2 S2
Formal charge:0
Formula weight:359.466 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide
OpenEye OEToolkits2.0.74-[5-(3-azanylpropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc3c(c1c2ccc(C(NCCCN)=O)s2)cc(C(=O)N)s3
InChIInChI1.03InChI=1S/C17H17N3O2S2/c18-7-2-8-20-17(22)14-6-5-13(23-14)10-3-1-4-12-11(10)9-15(24-12)16(19)21/h1,3-6,9H,2,7-8,18H2,(H2,19,21)(H,20,22)
InChIKeyInChI1.03FMTKEOGINPLCJD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C(N)=O
SMILESCACTVS3.385NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C(N)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN
SMILESOpenEye OEToolkits2.0.7c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN

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PDB entries from 2024-07-17

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