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

Systemtic Name: 2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(4-pyridyl)acetamide CAS Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-pyridin-4-ylacetamide IUPAC Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-pyridin-4-ylacetamide Traditional Name: 2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(4-pyridyl)acetamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NC3=CC=NC=C3

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C17H17N3O2S/c21-16(19-13-7-9-18-10-8-13)11-23-15-6-5-12-3-1-2-4-14(12)20-17(15)22/h1-4,7-10,15H,5-6,11H2,(H,20,22)(H,18,19,21)