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

Systemtic Name: 2-methylsulfanyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)pyridine-3-carboxamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)nicotinamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)SC)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)SC)N(C1=O)C)C

InChI

InChI=1S/C19H21N3O3S/c1-19(2)11-25-15-10-12(7-8-14(15)22(3)18(19)24)21-16(23)13-6-5-9-20-17(13)26-4/h5-10H,11H2,1-4H3,(H,21,23)