3,6-bis(chloranyl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(4-pyridylmethyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(4-pyridylmethyl)phenyl]benzothiophene-2-carboxamide Formula: C21H14Cl2N2OS MolecularWeight: 413.31966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N2OS/c22-15-3-6-17-18(12-15)27-20(19(17)23)21(26)25-16-4-1-13(2-5-16)11-14-7-9-24-10-8-14/h1-10,12H,11H2,(H,25,26)