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

Systemtic Name: N-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[4-(4-pyridylmethyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[4-(4-pyridylmethyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C21H20N2OS/c24-21(19-14-25-20-4-2-1-3-18(19)20)23-17-7-5-15(6-8-17)13-16-9-11-22-12-10-16/h5-12,14H,1-4,13H2,(H,23,24)