4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide Traditional Name: N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

InChI

InChI=1S/C22H21N5O4S/c1-13-20(29)26-17-11-16(7-8-18(17)31-13)25-21(30)14-3-5-15(6-4-14)24-19(28)12-32-22-23-9-10-27(22)2/h3-11,13H,12H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t13-/m0/s1