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

Systemtic Name: 3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(3-pyridylmethyl)propionamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C19H21N3O2S/c23-18(21-13-14-4-3-10-20-12-14)9-11-25-17-8-7-15-5-1-2-6-16(15)22-19(17)24/h1-6,10,12,17H,7-9,11,13H2,(H,21,23)(H,22,24)