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

Systemtic Name: 3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(5-quinolinyl)propanamide IUPAC Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 3-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(5-quinolyl)propionamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H21N3O2S/c26-21(24-19-9-3-8-18-16(19)6-4-13-23-18)12-14-28-20-11-10-15-5-1-2-7-17(15)25-22(20)27/h1-9,13,20H,10-12,14H2,(H,24,26)(H,25,27)