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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)nicotinamide Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC)OCC(C1=O)(C)C

InChI

InChI=1S/C23H29N3O3S/c1-15(2)10-12-26-18-9-8-16(13-19(18)29-14-23(3,4)22(26)28)25-20(27)17-7-6-11-24-21(17)30-5/h6-9,11,13,15H,10,12,14H2,1-5H3,(H,25,27)