N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C(=O)CCOC4=CC=CC=C43

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C(=O)CCOC4=CC=CC=C43

InChI

InChI=1S/C19H17N3O3S2/c1-26-19-21-13-7-6-12(10-16(13)27-19)20-17(23)11-22-14-4-2-3-5-15(14)25-9-8-18(22)24/h2-7,10H,8-9,11H2,1H3,(H,20,23)