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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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