N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanediamide

Systemtic Name: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanediamide Openeye Name: N'-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(4-pyridylmethyl)oxamide CAS Name: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(pyridin-4-ylmethyl)oxamide IUPAC Name: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(pyridin-4-ylmethyl)oxamide Traditional Name: N'-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-N-(4-pyridylmethyl)oxamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCC3=CC=NC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCC3=CC=NC=C3)C#N

InChI

InChI=1S/C17H16N4O2S/c18-9-13-12-3-1-2-4-14(12)24-17(13)21-16(23)15(22)20-10-11-5-7-19-8-6-11/h5-8H,1-4,10H2,(H,20,22)(H,21,23)