2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(3-pyridylmethyl)acetamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H19N3O2S/c22-17(20-11-13-4-3-9-19-10-13)12-24-16-8-7-14-5-1-2-6-15(14)21-18(16)23/h1-6,9-10,16H,7-8,11-12H2,(H,20,22)(H,21,23)