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

Systemtic Name: 3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-pyridin-4-yl-propanamide Openeye Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(4-pyridyl)propanamide CAS Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-pyridin-4-ylpropanamide IUPAC Name: 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-pyridin-4-ylpropanamide Traditional Name: 3-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]-N-(4-pyridyl)propionamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NC3=CC=NC=C3

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SCCC(=O)NC3=CC=NC=C3

InChI

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