N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(5-keto-4-methyl-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(methylthio)nicotinamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CN1CCOC2=C(C1=O)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C17H17N3O3S/c1-20-8-9-23-14-6-5-11(10-13(14)17(20)22)19-15(21)12-4-3-7-18-16(12)24-2/h3-7,10H,8-9H2,1-2H3,(H,19,21)