N-[3-(2-pyridin-4-ylethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[3-(2-pyridin-4-ylethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[3-[2-(4-pyridyl)ethyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[3-(2-pyridin-4-ylethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[3-(2-pyridin-4-ylethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[3-[2-(4-pyridyl)ethyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC(=C3)CCC4=CC=NC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC(=C3)CCC4=CC=NC=C4

InChI

InChI=1S/C22H22N2OS/c25-22(20-15-26-21-7-2-1-6-19(20)21)24-18-5-3-4-17(14-18)9-8-16-10-12-23-13-11-16/h3-5,10-15H,1-2,6-9H2,(H,24,25)