N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide Openeye Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide IUPAC Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-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-[4-[(1-methylimidazol-2-yl)thio]phenyl]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)CN3C(=O)CCOC4=CC=CC=C43

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)CN3C(=O)CCOC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O3S/c1-24-12-11-22-21(24)29-16-8-6-15(7-9-16)23-19(26)14-25-17-4-2-3-5-18(17)28-13-10-20(25)27/h2-9,11-12H,10,13-14H2,1H3,(H,23,26)