N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide

Systemtic Name: N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyridine-4-carboxamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-pyridinecarboxamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-4-carboxamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isonicotinamide Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=NC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=NC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O2S/c24-19(14-6-2-1-3-7-14)18-16-8-4-5-9-17(16)26-21(18)23-20(25)15-10-12-22-13-11-15/h1-3,6-7,10-13H,4-5,8-9H2,(H,23,25)