3-chloranyl-N-[2-oxidanylidene-2-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridyl)methylamino]ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-[[6-(1-pyrrolidinyl)-3-pyridinyl]methylamino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-[(6-pyrrolidin-1-ylpyridin-3-yl)methylamino]ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[(6-pyrrolidino-3-pyridyl)methylamino]ethyl]benzothiophene-2-carboxamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c22-19-15-5-1-2-6-16(15)29-20(19)21(28)25-13-18(27)24-12-14-7-8-17(23-11-14)26-9-3-4-10-26/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,24,27)(H,25,28)