N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)nicotinamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC)OCC(C1=O)(C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-11-24-16-9-8-14(12-17(16)27-13-21(2,3)20(24)26)23-18(25)15-7-6-10-22-19(15)28-4/h6-10,12H,5,11,13H2,1-4H3,(H,23,25)