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

Systemtic Name: 2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(5-quinolyl)acetamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H19N3O2S/c25-20(23-18-9-3-8-17-15(18)6-4-12-22-17)13-27-19-11-10-14-5-1-2-7-16(14)24-21(19)26/h1-9,12,19H,10-11,13H2,(H,23,25)(H,24,26)